⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6470024 | 0.97 | — | — | |
| SCHEMBL6675733 | 0.94 | — | — | |
| Water SCHEMBL11436352 | 0.94 | TSHR (0.38) | — | |
| SCHEMBL28415354 | 0.76 | — | — | |
| SCHEMBL9806230 | 0.74 | TSHR (0.40) | — | |
| SCHEMBL5356080 | 0.72 | — | — | |
| SCHEMBL8466546 | 0.72 | ALDH1A1 (0.42) | — | |
| SCHEMBL8134614 | 0.71 | — | — | |
| SCHEMBL1170397 | 0.71 | — | — | |
| Nitric Acid SCHEMBL5535833 | 0.71 | CA5A (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113227074-A | Benzamide derivatives of pyrazolyl-amino-pyrimidinyl derivatives, compositions and methods | 凌科药业(杭州)有限公司 | 2021-08-06 | — | — | CN | disclosed |
| CN-101767017-A | Preparation of carbon-supported palladium alloy hydrogenated catalyst and technical technology of palladium extraction and recovery | CHENGDU ORGANIC CHEMICALS CO | 2010-07-07 | — | — | CN | disclosed |
| EP-1169297-B1 | METHOD FOR THE PRODUCTION OF SERINOL | SK CORP (KR) | 2004-09-29 | — | — | EP | disclosed |
| US-6509504-B1 | Reacting nitromethane, paraformaldehyde and sodium hydroxide to form 2-nitropropanediol/1,3-/, sodium salt; continuous hydrogenation | SK CORPORATION (KR) | 2003-01-21 | — | — | US | disclosed |
| EP-1169297-A4 | METHOD FOR THE PRODUCTION OF SERINOL | SK CORP (KR) | 2002-09-18 | — | — | EP | disclosed |
| EP-1169297-A1 | METHOD FOR THE PRODUCTION OF SERINOL | SK Corporation (KR) | 2002-01-09 | — | — | EP | disclosed |
| WO-2000053567-A1 | METHOD FOR THE PRODUCTION OF SERINOL | SK CORPORATION (KR) | 2000-09-14 | — | — | WO | disclosed |
| US-4221740-A | CATALYTIC HYDROGENATION OF THE SODIUM SALT OF 1,3-DIHYDROXY-2-NITROPROPANE | SCHERING AKTIENGESELLSCHAFT (DE) | 1980-09-09 | — | — | US | disclosed |