⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22187120 | 1.00 | — | — | |
| SCHEMBL4168233 | 0.80 | TSHR (0.44) | — | |
| SCHEMBL4578801 | 0.80 | TSHR (0.44) | — | |
| SCHEMBL15693693 | 0.80 | TSHR (0.44) | — | |
| SCHEMBL18724837 | 0.79 | ALDH1A1 (0.41) | — | |
| SCHEMBL10569714 | 0.78 | — | — | |
| SCHEMBL17718476 | 0.76 | — | — | |
| SCHEMBL15095421 | 0.76 | ALDH1A1 (0.46) | — | |
| SCHEMBL162836 | 0.76 | — | — | |
| SCHEMBL19053989 | 0.76 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020134137-A1 | METHOD FOR SYNTHESIZING R-3-CHLOROALANINE METHYL ESTER HYDROCHLORIDE | 北京富盛嘉华医药科技有限公司 | 2020-07-02 | — | — | WO | disclosed |
| US-9376413-B1 | Succinic anhydrides from epoxides | CORNELL UNIVERSITY (US) | 2016-06-28 | — | — | US | disclosed |
| US-8921581-B1 | Succinic anhydrides from epoxides | CORNELL RESEARCH FOUNDATION, INC. (US) | 2014-12-30 | — | — | US | disclosed |
| US-8481756-B1 | Succinic anhydrides from epoxides | CORNELL RESEARCH FOUNDATION, INC. (US) | 2013-07-09 | — | — | US | disclosed |
| CN-101309950-B | Tetracarboxylic acid compound, polyimide of the compound and method for producing the same | MITSUBISHI CHEM CORP | 2011-08-03 | — | — | CN | disclosed |
| US-7795370-B2 | Tetracarboxylic acid compound, polyimide thereof, and production method thereof | MITSUBISHI CHEMICAL CORPORATION (JP) | 2010-09-14 | — | — | US | disclosed |
| US-20090182114-A1 | TETRACARBOXYLIC ACID COMPOUND, POLYIMIDE THEREOF, AND PRODUCTION METHOD THEREOF | MITSUBISHI CHEMICAL CORPORATION (JP) | 2009-07-16 | — | — | US | disclosed |
| CN-101309950-A | Tetracarboxylic acid compound, polyimide of the compound and method for producing the same | MITSUBISHI CHEM CORP (JP) | 2008-11-19 | — | — | CN | disclosed |