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.
⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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 SCHEMBL28402873 | 1.00 | ALDH1A1 (0.86) | — | |
| Alcohol SCHEMBL15348581 | 1.00 | ALDH1A1 (0.86) | — | |
| Alcohol SCHEMBL28515749 | 1.00 | ALDH1A1 (0.86) | — | |
| Alcohol SCHEMBL449296 | 1.00 | — | — | |
| Alcohol SCHEMBL7865660 | 1.00 | ALDH1A1 (0.86) | — | |
| Alcohol SCHEMBL4485375 | 1.00 | — | — | |
| Alcohol SCHEMBL5314318 | 1.00 | ALDH1A1 (0.86) | — | |
| Alcohol SCHEMBL175188 | 1.00 | — | — | |
| Alcohol SCHEMBL9815312 | 1.00 | — | — | |
| Alcohol SCHEMBL9225033 | 1.00 | — | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112312893-A | Pharmaceutical formulations of odexibat | 阿尔比里奥公司 | 2021-02-02 | — | — | CN | disclosed |
| CN-112262130-A | Crystal modification of odexibart | 阿尔比里奥公司 | 2021-01-22 | — | — | CN | disclosed |
| EP-2509583-B1 | PHARMACEUTICAL COMPOSITION COMPRISING OLIGOPEPTIDES, PREFERABLY CILENGITIDE | MERCK PATENT GMBH (DE) | 2019-05-15 | — | — | EP | disclosed |
| EP-3085704-A1 | NOVEL SOLID MATERIALS OF {[(2S, 5R, 8S, 11S)-5-BENZYL-11-(3-GUANIDINO-PROPYL)-8-ISOPROPYL-7-METHYL-3,6,9,12,15-PENTAOXO-1,4,7,10,13-PENTAAZA-CYCLOPENTADEC-2-YL]-ACETIC ACID} AND METHODS FOR OBTAINING THEM | Merck Patent GmbH (DE) | 2016-10-26 | — | — | EP | disclosed |
| US-9433577-B2 | Pharmaceutical composition comprising oligopeptides | MERCK PATENT GMBH (DE) | 2016-09-06 | — | — | US | disclosed |
| CN-102652015-B | Pharmaceutical composition comprising oligopeptides, preferably cilengitide | 默克专利有限公司 | 2016-08-03 | — | — | CN | disclosed |
| EP-2432801-B1 | NOVEL SOLID MATERIALS OF {[2S, 5R,8S,11S)-5-BENZYL-11-(3-GUANIDINO-PROPYL)-8-ISOPROPYL-7-METHYL-3,6,9,12,15-PENTAOXO-1,4,7,10,13-PENTAAZA-CYCLOPENTADEC-2-YL]-ACETIC ACID} AND METHODS FOR OBTAINING THEM | MERCK PATENT GMBH (DE) | 2016-03-23 | — | — | EP | disclosed |
| US-8765684-B2 | Solid materials of {[(2S,5R,8S,11S)-5-benzyl-11-(3-guanidino-propyl)-8-isopropyl-7-methyl-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentaaza-cyclopentadec-2-yl]-acetic acid} and methods for obtaining them | MERCK PATENT GMBH (DE) | 2014-07-01 | — | — | US | disclosed |
| US-20140088022-A1 | Novel Solid Materials of and Methods for Obtaining Them | MERCK PATENT GMBH (DE) | 2014-03-27 | — | — | US | disclosed |
| US-8586545-B2 | Solid materials of {[(2S, 5R,8S,11S)-5-benzyl-11-(3-guanidino-propyl)-8-isopropyl-7-methyl-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentaaza-cyclopentadec-2-yl]-acid} and methods for obtaining them | MERCK PATENT GMBH (DE) | 2013-11-19 | — | — | US | disclosed |
| US-20120288539-A1 | PHARMACEUTICAL COMPOSITION COMPRISING OLIGOPEPTIDES | MERCK PATENT GMBH (DE) | 2012-11-15 | — | — | US | disclosed |
| EP-2509583-A2 | PHARMACEUTICAL COMPOSITION COMPRISING OLIGOPEPTIDES, PREFERABLY CILENGITIDE | Merck Patent GmbH (DE) | 2012-10-17 | — | — | EP | disclosed |
| EP-2432801-A2 | NOVEL SOLID MATERIALS OF {[2S, 5R,8S,11S)-5-BENZYL-11-(3-GUANIDINO-PROPYL)-8-ISOPROPYL-7-METHYL-3,6,9,12,15-PENTAOXO-1,4,7,10,13-PENTAAZA-CYCLOPENTADEC-2-YL]-ACETIC ACID} AND METHODS FOR OBTAINING THEM | Merck Patent GmbH (DE) | 2012-03-28 | — | — | EP | disclosed |
| US-20120065142-A1 | NOVEL SOLID MATERIALS OF AND METHODS FOR OBTAINING THEM | MERCK PATENT GMBH (DE) | 2012-03-15 | — | — | US | disclosed |
| WO-2011069629-A2 | PHARMACEUTICAL COMPOSITION COMPRISING OLIGOPEPTIDES | MERCK PATENT GMBH (DE) | 2011-06-16 | — | — | WO | disclosed |
| WO-2010133367-A2 | NOVEL SOLID MATERIALS OF {[2S, 5R,8S,11S)-5-BENZYL-11-(3-GUANIDINO-PROPYL)-8-ISOPROPYL-7-METHYL-3,6,9,12,15-PENTAOXO-1,4,7,10,13-PENTAAZA-CYCLOPENTADEC-2-YL]-ACETIC ACID} AND METHODS FOR OBTAINING THEM | MERCK PATENT GMBH (DE) | 2010-11-25 | — | — | WO | disclosed |