⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21228994 | 0.97 | KMT2A (0.31) | — | |
| SCHEMBL1088561 | 0.97 | KMT2A (0.31) | — | |
| SCHEMBL19358639 | 0.97 | KMT2A (0.31) | — | |
| SCHEMBL1088415 | 0.94 | CA1 (0.31) | — | |
| SCHEMBL1088766 | 0.92 | KMT2A (0.33) | — | |
| SCHEMBL16290678 | 0.92 | — | — | |
| SCHEMBL55952 | 0.92 | — | — | |
| SCHEMBL157424 | 0.92 | — | — | |
| SCHEMBL5320500 | 0.92 | KMT2A (0.33) | — | |
| SCHEMBL1088622 | 0.89 | KMT2A (0.32) | — |
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 1110 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210032242-A1 | AROMATIC HETEROCYCLIC SUBSTITUTED OLEFIN COMPOUND, PREPARATION METHOD FOR SAME, PHARMACEUTICAL COMPOSITION OF SAME, AND APPLICATIONS THEREOF | SHANGHAI YINGLI PHARMACEUTICAL CO., LTD (CN) | 2021-02-04 | — | — | US | claimed |
| US-20180148449-A1 | Substituted-Quinoxaline-Type Bridged-Piperidine Compounds and the Uses Thereof | PURDUE PHARMA L.P. | 2018-05-31 | — | — | US | claimed |
| WO-2017160926-A1 | ANALGESIC COMPOUNDS | KALYRA PHARMACEUTICALS, INC. (US) | 2017-09-21 | — | — | WO | claimed |
| EP-2288596-B1 | ALICYCLIC CARBOXYLIC ACID DERIVATIVES OF BENZOMORPHANS AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE | BOEHRINGER INGELHEIM INT (DE) | 2016-11-30 | — | — | EP | claimed |
| US-20160129011-A1 | BICYCLO 2,3-BENZODIAZEPINES AND SPIROCYCLICALLY SUBSTITUTED 2,3-BENZODIAZEPINES | Bayer Pharma AG (DE) | 2016-05-12 | — | — | US | claimed |
| US-20160009717-A1 | SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF | PURDUE PHARMA L.P. | 2016-01-14 | — | — | US | claimed |
| EP-2958909-A1 | BICYCLO 2,3-BENZODIAZEPINES AND SPIROCYCLICALLY SUBSTITUTED 2,3-BENZODIAZEPINES | Bayer Pharma Aktiengesellschaft (DE) | 2015-12-30 | — | — | EP | claimed |
| US-9145408-B2 | Substituted-quinoxaline-type bridged-piperidine compounds as ORL-1 modulators | PURDUE PHARMA L.P. (US) | 2015-09-29 | — | — | US | claimed |
| EP-2324013-B3 | SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF | PURDUE PHARMA LP (US) | 2014-10-22 | — | — | EP | claimed |
| WO-2014128067-A1 | BICYCLO 2,3-BENZODIAZEPINES AND SPIROCYCLICALLY SUBSTITUTED 2,3-BENZODIAZEPINES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2014-08-28 | — | — | WO | claimed |
| WO-2011011722-A1 | SUBSTITUTED BENZOIMIDAZOLESULFONAMIDES AND SUBSTITUTED INDOLESULFONAMIDES AS MGLUR4 POTENTIATORS | VANDERBILT UNIVERSITY (US) | 2011-01-27 | — | — | WO | claimed |
| WO-2010010458-A1 | SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF | PURDUE PHARMA L.P. (US) | 2010-01-28 | — | — | WO | claimed |
| WO-2009138386-A2 | ALICYCLIC CARBOXYLIC ACID DERIVATIVES OF BENZOMORPHANS AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-11-19 | — | — | WO | claimed |
| US-20090256468-A1 | Novel organic electroluminescent compounds and organic electroluminescent device using the same | GRACEL DISPLAY INC. (KR) | 2009-10-15 | — | — | US | claimed |
| EP-2096108-A1 | Novel organic electroluminescent compounds and organic electroluminscent device using the same | Gracel Display Inc. (KR) | 2009-09-02 | — | — | EP | claimed |
| EP-1399431-B1 | NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMA (US) | 2009-02-18 | — | — | EP | claimed |
| US-6982263-B2 | Nitriles useful as reversible inhibitors of cysteine proteases | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2006-01-03 | — | — | US | claimed |
| US-20030119827-A1 | Novel nitriles useful as reversible inhibitors of cysteine proteases | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. | 2003-06-26 | — | — | US | claimed |
| WO-2002100849-A2 | NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2002-12-19 | — | — | WO | claimed |
| US-5639781-A | PREVENT REABSORPTION OF BONE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-06-17 | — | — | US | claimed |