⚠ 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 | |
|---|---|---|---|---|
| Butadiene SCHEMBL5053390 | 0.90 | — | — | |
| Benzene SCHEMBL8735478 | 0.82 | ALDH1A1 (0.30) | — | |
| Cyclohexane SCHEMBL8853219 | 0.82 | — | — | |
| Butadiene SCHEMBL3319970 | 0.78 | — | — | |
| Butadiene SCHEMBL3447970 | 0.76 | — | — | |
| Butadiene SCHEMBL8994090 | 0.76 | — | — | |
| Propene SCHEMBL1191987 | 0.74 | — | — | |
| Propene SCHEMBL451807 | 0.74 | — | — | |
| Propene SCHEMBL1246181 | 0.74 | — | — | |
| Acrolein SCHEMBL9817153 | 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 |
|---|---|---|---|---|---|---|---|
| EP-3398947-B1 | NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUND, AS WELL AS PREPARATION METHOD, INTERMEDIATE, COMPOSITION AND APPLICATION THEREOF | SHANGHAI PHARMACEUTICALS HOLDING CO LTD (CN) | 2024-08-28 | — | — | EP | disclosed |
| US-10988476-B2 | Substituted pyrimidines as cyclin-dependent kinase inhibitors | SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) | 2021-04-27 | — | — | US | disclosed |
| US-20200239470-A1 | Substituted Pyrimidine Compound for Treating Cancer | SHANGHAI PHARMACEUTICALS HOLDING CO LTD (CN) | 2020-07-30 | — | — | US | disclosed |
| US-10662186-B2 | Substituted pyrimidines as cyclin-dependent kinase inhibitors | SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) | 2020-05-26 | — | — | US | disclosed |
| CN-110177788-A | Compound as BCL-2 selectivity inducer of apoptosis | 上海复尚慧创医药研究有限公司 | 2019-08-27 | — | — | CN | disclosed |
| US-20190010153-A1 | NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUND, AS WELL AS PREPARATION METHOD, INTERMEDIATE, COMPOSITION AND APPLICATION THEREOF | SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) | 2019-01-10 | — | — | US | disclosed |
| EP-3398947-A1 | NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUND, AS WELL AS PREPARATION METHOD, INTERMEDIATE, COMPOSITION AND APPLICATION THEREOF | Shanghai Pharmaceuticals Holding Co., Ltd. (CN) | 2018-11-07 | — | — | EP | disclosed |