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 SCHEMBL7132795 | 1.00 | FFAR3 (0.47) | — | |
| Acetic Acid SCHEMBL6449854 | 1.00 | FFAR3 (0.47) | — | |
| Acetic Acid SCHEMBL3891856 | 0.97 | — | — | |
| Bicarbonate SCHEMBL31492006 | 0.90 | — | — | |
| Oxalic Acid SCHEMBL55207 | 0.87 | ALOX15 (0.59) | — | |
| Methacrylic Acid SCHEMBL17459015 | 0.83 | ALOX15 (0.44) | — | |
| Succinic Acid SCHEMBL2126097 | 0.81 | PHF8 (0.55) | — | |
| Maleic Acid SCHEMBL28379898 | 0.79 | TSHR (0.50) | — | |
| Acetic Acid SCHEMBL27618733 | 0.79 | — | — | |
| Acetic Acid SCHEMBL11785474 | 0.78 | — | — |
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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1891019-B1 | 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS | AVENTIS PHARMA INC (US) | 2012-07-25 | — | — | EP | claimed |
| US-8193183-B2 | 2,6-substituted-4-monosubstitutedamino-pyrimidine as prostaglandin D2 receptor antagonists | AVENTIS PHARMACEUTICALS INC. (US) | 2012-06-05 | — | — | US | claimed |
| WO-2008039882-A1 | A COMBINATION OF NIACIN AND A PROSTAGLANDIN D2 RECEPTOR ANTAGONIST | SANOFI-AVENTIS U.S. LLC (US) | 2008-04-03 | — | — | WO | claimed |
| EP-1891019-A2 | 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS | Aventis Pharmaceuticals Inc. (US) | 2008-02-27 | — | — | EP | claimed |
| US-20070244131-A1 | 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS | AVENTIS PHARMACEUTICALS INC. (US) | 2007-10-18 | — | — | US | claimed |
| WO-2006044732-A2 | 2, 6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS | AVENTIS PHARMACEUTICALS INC. (US) | 2006-04-27 | — | — | WO | claimed |
| CN-103209982-B | The compound, its manufacture method and uses thereof of reversion stand-in | JW PHARMACEUTICAL Corp. (KR) | 2016-03-16 | — | — | CN | disclosed |
| EP-1948624-B1 | PROCESS FOR THE PREPARATION OF BENZO[E][1,2,4]TRIAZEPIN-2-ONE DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2013-10-23 | — | — | EP | disclosed |
| CN-101304982-B | Process for the preparation of benzotriazepine derivatives | JANSSEN PHARMACEUTICA NV | 2013-03-13 | — | — | CN | disclosed |
| EP-1891019-B1 | 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS | AVENTIS PHARMA INC (US) | 2012-07-25 | — | — | EP | disclosed |
| US-8193183-B2 | 2,6-substituted-4-monosubstitutedamino-pyrimidine as prostaglandin D2 receptor antagonists | AVENTIS PHARMACEUTICALS INC. (US) | 2012-06-05 | — | — | US | disclosed |
| US-7582753-B2 | Process for the preparation of benzotriazepine derivatives | JANSSENPHARMACEUTICA, NV (BE) | 2009-09-01 | — | — | US | disclosed |
| US-7517889-B2 | 2,6-substituted-4-monosubstitutedamino-pyrimidine as prostaglandin D2 receptor antagonists | AVENTIS PHARMACEUTICALS, INC. (US) | 2009-04-14 | — | — | US | disclosed |
| EP-1891019-A2 | 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS | Aventis Pharmaceuticals Inc. (US) | 2008-02-27 | — | — | EP | disclosed |
| US-20070265291-A1 | 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS | AVENTIS PHARMACEUTICALS INC. (US) | 2007-11-15 | — | — | US | disclosed |
| US-20070244131-A1 | 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS | AVENTIS PHARMACEUTICALS INC. (US) | 2007-10-18 | — | — | US | disclosed |
| WO-2007035430-A2 | PROCESS FOR THE PREPARATION OF BENZO [E] [1,2,4] TRIAZEPIN-2-ONE DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-03-29 | — | — | WO | disclosed |
| US-20070066819-A1 | PROCESS FOR THE PREPARATION OF BENZOTRIAZEPINE DERIVATIVES | JANSSEN PHARMACUETICA N.V., (BE) | 2007-03-22 | — | — | US | disclosed |
| WO-2006044732-A2 | 2, 6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS | AVENTIS PHARMACEUTICALS INC. (US) | 2006-04-27 | — | — | WO | disclosed |
| US-5112741-A | Reaction with an amine | ENZYMATICS, INC. (US) | 1992-05-12 | — | — | US | disclosed |