Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
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 SCHEMBL6157938 | 0.95 | CA1 (0.89) | — | |
| Acetic Acid SCHEMBL18951 | 0.95 | — | — | |
| Acetic Acid SCHEMBL10479517 | 0.90 | CA1 (0.80) | — | |
| Acetic Acid SCHEMBL8985358 | 0.90 | CA1 (0.80) | — | |
| Acetic Acid SCHEMBL3769038 | 0.90 | — | — | |
| Acetic Acid SCHEMBL500309 | 0.90 | CA1 (0.80) | — | |
| Acetic Acid SCHEMBL11574107 | 0.90 | CA1 (0.80) | — | |
| Acetic Acid SCHEMBL11186994 | 0.90 | CA1 (0.80) | — | |
| Acetic Acid SCHEMBL11574113 | 0.90 | — | — | |
| Acetic Acid SCHEMBL4765427 | 0.90 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0972762-B1 | Novel structural analogues of vitamin D | THERAMEX (MC) | 2003-10-01 | — | — | EP | disclosed |
| US-6548715-B1 | Which lacks the combined presence of the trans-fused ring; increased therapeutic potential; for cell proliferation; veterinary medicine | LABORATOIRE THERAMEX S.A. (MC) | 2003-04-15 | — | — | US | disclosed |
| CN-1103755-C | Novel structural analogs of vitamin D | THERAMEX (MC) | 2003-03-26 | — | — | CN | disclosed |
| US-6017907-A | Structural analogues of vitamin D | LABORATOIRE THERAMEX S.A. (MC) | 2000-01-25 | — | — | US | disclosed |
| EP-0972762-A2 | Novel structural analogues of vitamin D | LABORATOIRE THERAMEX (MC) | 2000-01-19 | — | — | EP | disclosed |
| CN-1130899-A | Novel structural analogs of vitamin D | THERAMEX (MC) | 1996-09-11 | — | — | CN | disclosed |
| EP-0707566-A1 | NOVEL STRUCTURAL ANALOGUES OF VITAMIN D | LABORATOIRE THERAMEX S.A. (MC) | 1996-04-24 | — | — | EP | disclosed |
| WO-1995001960-A1 | NOVEL STRUCTURAL ANALOGUES OF VITAMIN D | LABORATOIRE THERAMEX S.A. (MC) | 1995-01-19 | — | — | WO | disclosed |