⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL15647773 | 0.98 | PNMT (0.31) | — | |
| SCHEMBL1017726 | 0.64 | — | — | |
| SCHEMBL16054720 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL30468940 | 0.62 | THRB (0.36) | — | |
| SCHEMBL12472270 | 0.62 | GABRR1 (0.31) | — | |
| SCHEMBL18926141 | 0.61 | GABRR1 (0.31) | — | |
| SCHEMBL18071906 | 0.61 | — | — | |
| SCHEMBL18120675 | 0.61 | — | — | |
| SCHEMBL4658687 | 0.58 | — | — | |
| SCHEMBL1259769 | 0.58 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012061415-A1 | OXYPYRIMIDINES AS SYK MODULATORS | PORTOLA PHARMACEUTICALS, INC. (US) | 2012-05-10 | — | — | WO | claimed |
| WO-2020232256-A1 | TRIARYL COMPOUNDS FOR TREATMENT OF PD-L1 DISEASES | CHEMOCENTRYX, INC. (US) | 2020-11-19 | — | — | WO | disclosed |
| CN-109476642-A | COMPOUNDS AND THEIR USE FOR REDUCING URIC ACID LEVELS | 阿奎斯特有限责任公司 | 2019-03-15 | — | — | CN | disclosed |
| CN-103204815-B | 4-(4-cyano-2-thioaryl)dihydropyrimidinones and use thereof | BAYER IP GMBH | 2015-01-28 | — | — | CN | disclosed |
| CN-101903356-B | 4- (4-cyano-2-thioaryl) dihydropyrimidinones and their use | BAYER IP GMBH | 2013-05-22 | — | — | CN | disclosed |
| WO-2012061415-A1 | OXYPYRIMIDINES AS SYK MODULATORS | PORTOLA PHARMACEUTICALS, INC. (US) | 2012-05-10 | — | — | WO | disclosed |