⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL150307 | 0.78 | — | — | |
| SCHEMBL28943824 | 0.76 | — | — | |
| SCHEMBL9116722 | 0.75 | — | — | |
| SCHEMBL6887978 | 0.75 | — | — | |
| SCHEMBL6728259 | 0.75 | — | — | |
| SCHEMBL828913 | 0.75 | — | — | |
| SCHEMBL2228169 | 0.75 | — | — | |
| SCHEMBL30349526 | 0.72 | — | — | |
| SCHEMBL30558016 | 0.72 | — | — | |
| SCHEMBL15544478 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5035757-A | For automobile or aircraft safety bags | AUTOMOTIVE SYSTEMS LABORATORY, INC. (US) | 1991-07-30 | — | — | US | claimed |
| EP-3728224-B1 | CYCLOHEXYL ACID TRIAZOLE AZOLES AS LPA ANTAGONISTS | BRISTOL MYERS SQUIBB CO (US) | 2023-01-11 | — | — | EP | 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 |
| EP-1816113-B1 | Gas generating composition | DAICEL CHEM (JP) | 2017-08-09 | — | — | EP | disclosed |
| EP-1415963-B1 | Gas generating composition | DAICEL CHEM (JP) | 2017-03-08 | — | — | EP | disclosed |