⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1259260 | 0.79 | — | — | |
| SCHEMBL1259258 | 0.79 | — | — | |
| SCHEMBL2199714 | 0.79 | — | — | |
| SCHEMBL11552870 | 0.69 | NSD2 (0.34) | — | |
| SCHEMBL11645111 | 0.62 | — | — | |
| Ammonia Solution, Strong SCHEMBL6268326 | 0.61 | — | — | |
| SCHEMBL1596634 | 0.59 | — | — | |
| SCHEMBL278437 | 0.55 | — | — | |
| SCHEMBL1207059 | 0.55 | — | — | |
| SCHEMBL32173 | 0.55 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1581660-B1 | METHOD OF DETECTING DNA SINGLE STRAND BREAKS | UNIV NORTH CAROLINA (US) | 2010-08-11 | — | — | EP | claimed |
| CN-111712492-B | Cyclotriazoles as LPA antagonists | 百时美施贵宝公司 | 2024-05-31 | — | — | CN | disclosed |
| CN-114891014-B | Preparation method and application of benzopyran racemate | 中山奕安泰医药科技有限公司 | 2024-01-09 | — | — | CN | disclosed |
| CN-110407730-B | Pyrrolidone herbicides | FMC 公司 | 2023-09-08 | — | — | CN | disclosed |
| CN-116600643-A | Herbicide mixture, herbicide composition, method for controlling undesired vegetation and kit | 安道麦阿甘有限公司 | 2023-08-15 | — | — | CN | disclosed |
| EP-3728224-B1 | CYCLOHEXYL ACID TRIAZOLE AZOLES AS LPA ANTAGONISTS | BRISTOL MYERS SQUIBB CO (US) | 2023-01-11 | — | — | EP | disclosed |
| CN-114891014-A | Preparation method and application of benzopyran racemate | 中山奕安泰医药科技有限公司 | 2022-08-12 | — | — | CN | disclosed |
| US-11319315-B2 | Cyclohexyl acid triazole azoles as LPA antagonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 2022-05-03 | — | — | US | disclosed |
| US-20210163470-A1 | CYCLOHEXYL ACID TRIAZOLE AZOLES AS LPA ANTAGONISTS | BRISTOL MYERS SQUIBB CO (US) | 2021-06-03 | — | — | US | disclosed |
| EP-3728224-A1 | CYCLOHEXYL ACID TRIAZOLE AZOLES AS LPA ANTAGONISTS | Bristol-Myers Squibb Company (US) | 2020-10-28 | — | — | EP | disclosed |
| CN-106588565-A | Synthesis method of chiral sec-allyl alcohol with hydroxyl ortho-position replaced with halogen atoms | 江南大学 | 2017-04-26 | — | — | CN | disclosed |
| CN-106588763-A | Method for preparing statin raw material drug intermediate by use of improved Julia olefination as key step | 江南大学 | 2017-04-26 | — | — | CN | disclosed |