Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid Butyl Ester. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.78 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 5/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | NAAA | Q02083 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 7/20 | 0.42 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Acetic Acid Butyl Ester SCHEMBL11129197 | 0.96 | ALDH1A1 (0.78) | ALDH1A1ATMHCAR2TSHRHPGD | |
| Acetic Acid Butyl Ester SCHEMBL117774 | 0.96 | ALDH1A1 (0.86) | ALDH1A1ATMHCAR2TSHRHPGD | |
| Acetic Acid Butyl Ester SCHEMBL9131212 | 0.94 | ALDH1A1 (0.75) | ALDH1A1ATMHCAR2TSHRHPGD | |
| Acetic Acid Butyl Ester SCHEMBL598803 | 0.93 | ALDH1A1 (0.82) | ALDH1A1ATMHCAR2TSHRHPGD | |
| Acetic Acid Butyl Ester SCHEMBL29055253 | 0.93 | ALDH1A1 (0.90) | ALDH1A1ATMHCAR2TSHRHPGD | |
| Acetic Acid Butyl Ester SCHEMBL29112143 | 0.93 | ALDH1A1 (0.90) | ALDH1A1ATMHCAR2TSHRHPGD | |
| Acetic Acid Butyl Ester SCHEMBL28843487 | 0.93 | ALDH1A1 (0.90) | ALDH1A1ATMHCAR2TSHRHPGD | |
| Acetic Acid Butyl Ester SCHEMBL232628 | 0.93 | ALDH1A1 (0.90) | ALDH1A1ATMHCAR2TSHRHPGD | |
| Acetic Acid Butyl Ester SCHEMBL11216308 | 0.92 | ALDH1A1 (0.72) | ALDH1A1ATMHCAR2TSHRHPGD | |
| Acetic Acid Butyl Ester SCHEMBL4872777 | 0.91 | ALDH1A1 (0.78) | ALDH1A1ATMHCAR2TSHRHPGD |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1874826-B1 | COATING COMPOSITION COMPRISING A CELLULOSE MIXED ESTER | EASTMAN CHEM CO (US) | 2019-05-15 | — | — | EP | disclosed |
| EP-2301973-B1 | Low molecular weight cellulose mixed esters and their use as low viscosity binders and modifiers in coating compositions | EASTMAN CHEM CO (US) | 2013-10-30 | — | — | EP | disclosed |
| EP-1603952-B1 | LOW MOLECULAR WEIGHT CELLULOSE MIXED ESTERS AND THEIR USE AS LOW VISCOSITY BINDERS AND MODIFIERS IN COATING COMPOSITIONS | EASTMAN CHEM CO (US) | 2013-09-04 | — | — | EP | disclosed |
| US-8124676-B2 | Basecoat coating compositions comprising low molecular weight cellulose mixed esters | EASTMAN CHEMICAL COMPANY (US) | 2012-02-28 | — | — | US | disclosed |
| EP-2411478-A1 | REFINISH COATING COMPOSITIONS COMPRISING LOW MOLECULAR WEIGHT CELLULOSE MIXED ESTERS | Eastman Chemical Company (US) | 2012-02-01 | — | — | EP | disclosed |
| US-20110282049-A1 | LOW MOLECULAR WEIGHT CELLULOSE MIXED ESTERS AND THEIR USE AS LOW VISCOSITY BINDERS AND MODIFIERS IN COATING COMPOSITIONS | EASTMAN CHEMICAL COMPANY (US) | 2011-11-17 | — | — | US | disclosed |
| US-8039531-B2 | Low molecular weight cellulose mixed esters and their use as low viscosity binders and modifiers in coating compositions | EASTMAN CHEMICAL COMPANY (US) | 2011-10-18 | — | — | US | disclosed |
| US-8003715-B2 | Low molecular weight cellulose mixed esters and their use as low viscosity binders and modifiers in coating compositions | EASTMAN CHEMICAL COMPANY (US) | 2011-08-23 | — | — | US | disclosed |
| EP-2328983-A1 | BASECOAT COMPOSITIONS COMPRISING LOW MOLECULAR WEIGHT CELLULOSE MIXED ESTERS | Eastman Chemical Company (US) | 2011-06-08 | — | — | EP | disclosed |
| EP-2301973-A2 | Low molecular weight cellulose mixed esters and their use as low viscosity binders and modifiers in coating compositions | EASTMAN CHEMICAL COMPANY (US) | 2011-03-30 | — | — | EP | disclosed |
| US-20070282038-A1 | Methods for improving the anti-sag, leveling, and gloss of coating compositions comprising low molecular weight cellulose mixed esters | EASTMAN CHEMICAL COMPANY | 2007-12-06 | — | — | US | disclosed |
| EP-1603953-B1 | LOW MOLECULAR WEIGHT CARBOXYALKYCELLULOSE ESTERS AND THEIR USE AS LOW VISCOSITY BINDERS AND MODIFIERS IN COATING COMPOSITIONS | EASTMAN CHEM CO (US) | 2007-11-14 | — | — | EP | disclosed |
| US-20070088105-A1 | Low molecular weight cellulose mixed esters and their use as low viscosity binders and modifiers in coating compositions | EASTMAN CHEMICAL COMPANY | 2007-04-19 | — | — | US | disclosed |
| WO-2006116367-A1 | LOW MOLECULAR WEIGHT CELLULOSE MIXED ESTERS AND THEIR USE AS LOW VISCOSITY BINDERS AND MODIFIERS IN COATING COMPOSITIONS | EASTMAN CHEMICAL COMPANY (US) | 2006-11-02 | — | — | WO | disclosed |
| EP-1603952-A1 | LOW MOLECULAR WEIGHT CELLULOSE MIXED ESTERS AND THEIR USE AS LOW VISCOSITY BINDERS AND MODIFIERS IN COATING COMPOSITIONS | EASTMAN CHEMICAL COMPANY (US) | 2005-12-14 | — | — | EP | disclosed |
| EP-1603953-A1 | LOW MOLECULAR WEIGHT CARBOXYALKYCELLULOSE ESTERS AND THEIR USE AS LOW VISCOSITY BINDERS AND MODIFIERS IN COATING COMPOSITIONS | EASTMAN CHEMICAL COMPANY (US) | 2005-12-14 | — | — | EP | disclosed |
| WO-2004083253-A1 | LOW MOLECULAR WEIGHT CELLULOSE MIXED ESTERS AND THEIR USE AS LOW VISCOSITY BINDERS AND MODIFIERS IN COATING COMPOSITIONS | EASTMAN CHEMICAL COMPANY (US) | 2004-09-30 | — | — | WO | disclosed |
| WO-2004083254-A1 | LOW MOLECULAR WEIGHT CARBOXYALKYCELLULOSE ESTERS AND THEIR USE AS LOW VISCOSITY BINDERS AND MODIFIERS IN COATING COMPOSITIONS | EASTMAN CHEMICAL COMPANY (US) | 2004-09-30 | — | — | WO | disclosed |
| US-20040181009-A1 | Low molecular weight cellulose mixed esters and their use as low viscosity binders and modifiers in coating compositions | EASTMAN CHEMICAL COMPANY | 2004-09-16 | — | — | US | disclosed |
| US-20040180993-A1 | Low molecular weight carboxyalkylcellulose esters and their use as low viscosity binders and modifiers in coating compositions | EASTMAN CHEMICAL COMPANY | 2004-09-16 | — | — | US | disclosed |