⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30862 | 1.00 | — | — | |
| SCHEMBL624575 | 0.97 | — | — | |
| SCHEMBL7004019 | 0.97 | — | — | |
| SCHEMBL123918 | 0.97 | — | — | |
| SCHEMBL6327479 | 0.97 | — | — | |
| SCHEMBL30113282 | 0.97 | ALDH1A1 (0.33) | — | |
| SCHEMBL33897 | 0.89 | — | — | |
| SCHEMBL477785 | 0.89 | — | — | |
| SCHEMBL731930 | 0.89 | — | — | |
| SCHEMBL3393365 | 0.86 | — | — |
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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3700896-A1 | AMINE SUBSTITUTED TRIAZOLE DERIVATIVES AND USES THEREOF | Bayer Pharma Aktiengesellschaft (DE) | 2020-09-02 | — | — | EP | claimed |
| WO-2012176123-A1 | 3 - IMIDAZOLYL- INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES | NOVARTIS AG (CH) | 2012-12-27 | — | — | WO | claimed |
| EP-1682506-A1 | DIPEPTIDE-ANALOGUE SYNTHESIS | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 2006-07-26 | — | — | EP | claimed |
| WO-2005044799-A1 | DIPEPTIDE-ANALOGUE SYNTHESIS | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2005-05-19 | — | — | WO | claimed |
| JP-2003529546-A | — | — | 2003-10-07 | — | — | JP | claimed |
| WO-2002100849-A2 | NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2002-12-19 | — | — | WO | claimed |
| EP-1218372-A1 | NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | Boehringer Ingelheim Pharmaceuticals, Inc. (US) | 2002-07-03 | — | — | EP | claimed |
| EP-1204652-A1 | NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 2002-05-15 | — | — | EP | claimed |
| WO-2001019816-A1 | NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2001-03-22 | — | — | WO | claimed |
| WO-2001009110-A1 | NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2001-02-08 | — | — | WO | claimed |
| EP-3700896-A1 | AMINE SUBSTITUTED TRIAZOLE DERIVATIVES AND USES THEREOF | Bayer Pharma Aktiengesellschaft (DE) | 2020-09-02 | — | — | EP | disclosed |
| EP-2951170-A2 | FLAP MODULATORS | Janssen Pharmaceutica, N.V. (BE) | 2015-12-09 | — | — | EP | disclosed |
| WO-2014121055-A2 | FLAP MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2014-08-07 | — | — | WO | disclosed |
| EP-2611805-A1 | FUSED TRIAZOLES FOR THE TREATMENT OR PROPHYLAXIS OF MILD COGNITIVE IMPAIRMENT | Takeda Pharmaceutical Company Limited (JP) | 2013-07-10 | — | — | EP | disclosed |
| US-20130102593-A1 | PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF | PURDUE RESEARCH FOUNDATION | 2013-04-25 | — | — | US | disclosed |
| EP-1322613-A1 | SPIROHETEROCYCLIC NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 2003-07-02 | — | — | EP | disclosed |
| WO-2002100849-A2 | NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2002-12-19 | — | — | WO | disclosed |
| EP-1218372-A1 | NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | Boehringer Ingelheim Pharmaceuticals, Inc. (US) | 2002-07-03 | — | — | EP | disclosed |
| WO-2002020485-A1 | SPIROHETEROCYCLIC NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2002-03-14 | — | — | WO | disclosed |
| WO-2001019816-A1 | NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2001-03-22 | — | — | WO | disclosed |