⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31243438 | 0.80 | — | — | |
| SCHEMBL31712937 | 0.80 | — | — | |
| SCHEMBL31712905 | 0.77 | — | — | |
| SCHEMBL20268047 | 0.73 | HTR2A (0.31) | — | |
| SCHEMBL20268057 | 0.73 | HTR2A (0.31) | — | |
| SCHEMBL20270019 | 0.70 | DRD2 (0.33) | — | |
| SCHEMBL20269076 | 0.70 | DRD2 (0.33) | — | |
| SCHEMBL20269635 | 0.70 | DRD2 (0.33) | — | |
| SCHEMBL31712913 | 0.69 | — | — | |
| SCHEMBL31332390 | 0.69 | RYR2 (0.53) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119072471-A | Pyrazole substituted cyclopentyl ester derivative and application thereof | 正大天晴药业集团股份有限公司 | 2024-12-03 | — | — | CN | claimed |
| CN-119072471-A | Pyrazole substituted cyclopentyl ester derivative and application thereof | 正大天晴药业集团股份有限公司 | 2024-12-03 | — | — | CN | disclosed |
| CN-117355532-A | Tri-fused ring USP1 inhibitors and uses thereof | 山东轩竹医药科技有限公司 | 2024-01-05 | — | — | CN | disclosed |
| CN-117337290-A | Tri-ring ubiquitin-specific protease 1 inhibitors and uses thereof | 山东轩竹医药科技有限公司 | 2024-01-02 | — | — | CN | disclosed |
| CN-117088874-A | Diacylglycerol kinase inhibitors and uses thereof | 轩竹生物科技股份有限公司 | 2023-11-21 | — | — | CN | disclosed |
| CN-116969943-A | Tri-cyclic diacylglycerol kinase inhibitors and uses thereof | 轩竹生物科技股份有限公司 | 2023-10-31 | — | — | CN | disclosed |
| CN-116731022-A | Tri-ring ubiquitin-specific protease 1 inhibitors and uses thereof | 轩竹生物科技股份有限公司 | 2023-09-12 | — | — | CN | disclosed |
| CN-116332944-A | Tri-ring ubiquitin-specific protease 1 inhibitors and uses thereof | 轩竹生物科技股份有限公司 | 2023-06-27 | — | — | CN | disclosed |
| EP-3873893-A1 | 2-AMINO-N-HETEROARYL-NICOTINAMIDES AS NAV1.8 INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2021-09-08 | — | — | EP | disclosed |