Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Alcohol. 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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL1563033 | 0.97 | — | — | |
| Methyl Alcohol SCHEMBL1866634 | 0.90 | — | — | |
| Methyl Alcohol SCHEMBL1994884 | 0.86 | — | — | |
| Butyl Alcohol SCHEMBL8172038 | 0.85 | ALDH1A1 (0.61) | — | |
| Butyl Alcohol SCHEMBL1990040 | 0.84 | ALDH1A1 (0.69) | — | |
| 1-Hexanol SCHEMBL10456926 | 0.83 | LMNA (0.68) | — | |
| Hydrochloric Acid SCHEMBL9336096 | 0.81 | TSHR (0.33) | — | |
| Isobutanol SCHEMBL1992818 | 0.79 | TSHR (0.50) | — | |
| Alcohol SCHEMBL1992680 | 0.78 | — | — | |
| Hexane SCHEMBL9601001 | 0.78 | SMN1; SMN2 (0.64) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007117560-A2 | PIPERIDINE AND MORPHOLINE RENIN INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2007-10-18 | — | — | WO | disclosed |
| EP-1807078-A1 | DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS | Vitae Pharmaceuticals, Inc. (US) | 2007-07-18 | — | — | EP | disclosed |
| WO-2006042150-A1 | DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2006-04-20 | — | — | WO | disclosed |
| EP-0195497-B1 | CATALYST COMPONENT FOR OLEFIN POLYMERIZATION | TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) | 1989-07-12 | — | — | EP | disclosed |