⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13007450 | 1.00 | — | — | |
| SCHEMBL1153835 | 1.00 | — | — | |
| SCHEMBL47586 | 0.76 | SLC7A5 (0.32) | — | |
| SCHEMBL14540674 | 0.76 | — | — | |
| SCHEMBL13112936 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL20721195 | 0.72 | SLC7A5 (0.30) | — | |
| SCHEMBL4252523 | 0.72 | — | — | |
| SCHEMBL7106022 | 0.71 | ALDH1A1 (0.50) | — | |
| SCHEMBL1153450 | 0.71 | TSHR (0.35) | — | |
| SCHEMBL1153453 | 0.71 | TSHR (0.35) | — |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8431565-B2 | Substituted imidazoheterocycles | CARA THERAPEUTICS, INC. (US) | 2013-04-30 | — | — | US | claimed |
| US-20090149450-A1 | SUBSTITUTED IMIDAZOHETEROCYCLES | CARA THERAPEUTICS, INC. (US) | 2009-06-11 | — | — | US | claimed |
| EP-1958940-B1 | CONDENSATION REACTION BY METAL CATALYST | TAKASAGO PERFUMERY CO LTD (JP) | 2013-06-26 | — | — | EP | disclosed |
| US-7943799-B2 | Method for producing optically active cycloalkylidenebisoxazoline compound and intermediate thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2011-05-17 | — | — | US | disclosed |
| US-20110098479-A1 | CONDENSATION REACTION BY METAL CATALYST | MASHIMA KAZUSHI | 2011-04-28 | — | — | US | disclosed |
| US-20110046415-A1 | METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2011-02-24 | — | — | US | disclosed |
| US-7888513-B2 | Condensation reaction by metal catalyst | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2011-02-15 | — | — | US | disclosed |
| US-7842839-B2 | Method for producing optically active cycloalkylidenebisoxazoline compound and intermediate thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2010-11-30 | — | — | US | disclosed |
| US-7612236-B2 | Method for producing optically active bisamidoalcohol compound | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2009-11-03 | — | — | US | disclosed |
| US-20090198070-A1 | Condensation Reaction by Metal Catalyst | OSAKA UNIVERSITY (JP) | 2009-08-06 | — | — | US | disclosed |
| EP-1958940-A1 | CONDENSATION REACTION BY METAL CATALYST | Takasago International Corporation (JP) | 2008-08-20 | — | — | EP | disclosed |
| EP-1698616-A1 | METHOD FOR PRODUCING OPTICALLY ACTIVE BISAMIDO ALCOHOL COMPOUND | Sumitomo Chemical Company, Limited (JP) | 2006-09-06 | — | — | EP | disclosed |
| EP-1698617-A1 | METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENE BISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF | Sumitomo Chemical Company, Limited (JP) | 2006-09-06 | — | — | EP | disclosed |
| EP-0942010-B1 | Transition metal compounds, catalyst components and catalysts for olefin polymerization, and process for producing olefinic polymer | SUMITOMO CHEMICAL CO (JP) | 2003-06-18 | — | — | EP | disclosed |
| US-6500909-B2 | CONTAINING NICKEL, PALLADIUM, RHODIUM, RUTHENIUM, OR COBALT | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2002-12-31 | — | — | US | disclosed |
| US-6410741-B1 | INSECTICIDES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2002-06-25 | — | — | US | disclosed |
| US-20010027162-A1 | Transition metal compound, catalyst component for olefin polymerization, catalyst for olefin polymerization, and process for producing olefinic polymer | HIRAHATA WATARU (JP) | 2001-10-04 | — | — | US | disclosed |
| US-6242377-B1 | POLYMERIZATION IN PRESENCE OF BISOXAZOLINE WITH NICKEL, COBALT, PALLADIUM, RHODIUM, RUTHENIUM, ALUMINUM AND BORON COMPLEXES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2001-06-05 | — | — | US | disclosed |
| US-6072081-A | Optically active bisoxazoline compounds, production and use thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2000-06-06 | — | — | US | disclosed |
| EP-0942010-A1 | Transition metal compounds, catalyst components and catalysts for olefin polymerization, and process for producing olefinic polymers | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1999-09-15 | — | — | EP | disclosed |