⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL185 | 0.89 | — | — | |
| SCHEMBL18045521 | 0.80 | — | — | |
| SCHEMBL8345089 | 0.80 | — | — | |
| Bromide SCHEMBL31539514 | 0.80 | — | — | |
| SCHEMBL1241351 | 0.80 | — | — | |
| Iodide SCHEMBL8245354 | 0.80 | — | — | |
| Hydrogen Sulfide SCHEMBL1241349 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL11859749 | 0.80 | — | — | |
| Fluoride SCHEMBL31345552 | 0.80 | — | — | |
| SCHEMBL8715187 | 0.73 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114394966-A | Pyridopyrimidinone CDK2/4/6 inhibitors | 辉瑞公司 | 2022-04-26 | — | — | CN | disclosed |
| CN-110143875-A | A kind of preparation method of 4- acetoxyl-2-methyl-2-butylenoic aldehyde | 万华化学集团股份有限公司 | 2019-08-20 | — | — | CN | disclosed |
| CN-105960246-A | Novel cyclosporin derivatives and use thereof | 美国科技环球有限公司 | 2016-09-21 | — | — | CN | disclosed |
| CN-1772726-A | Halofantrine preparing method | ZHEJIANG XIHECHENG CO LTD (CN) | 2006-05-17 | — | — | CN | disclosed |
| WO-2001040193-A1 | METHOD FOR THE SYNTHESIS OF PYRAZOLINES | CHEMRX ADVANCED TECHNOLOGIES, INC. (US) | 2001-06-07 | — | — | WO | disclosed |
| CN-1056374-C | Tricyclic diazepine vasopression antagonists | AMERICAN CYANAMID CO (US) | 2000-09-13 | — | — | CN | disclosed |
| CN-1039908-C | Tricyclic diaza * vasopressin antagonists and oxytocin antagonists | AMERICAN CYANAMID CO (US) | 1998-09-23 | — | — | CN | disclosed |