⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27830532 | 0.80 | — | — | |
| SCHEMBL27846470 | 0.79 | — | — | |
| SCHEMBL27916226 | 0.77 | TSHR (0.33) | — | |
| SCHEMBL28305777 | 0.70 | — | — | |
| SCHEMBL4597937 | 0.69 | — | — | |
| SCHEMBL21755790 | 0.63 | — | — | |
| SCHEMBL12719387 | 0.60 | — | — | |
| SCHEMBL21670738 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL28358258 | 0.59 | — | — | |
| SCHEMBL28100634 | 0.59 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105189464-B | Cyclopenta pyrazoles as N-type calcium channel blocker | 詹森药业有限公司 | 2017-12-12 | — | — | CN | claimed |
| EP-3788038-B1 | KRAS G12C INHIBITORS AND METHODS OF USING THE SAME | AMGEN INC (US) | 2023-10-11 | — | — | EP | disclosed |
| CN-105377374-B | Cosmetic composition with tristane Carbox amide | 荷兰联合利华有限公司 | 2019-05-28 | — | — | CN | disclosed |
| CN-105007885-B | Prolonged Delivery of Certain Fragrance Components in Personal Care Compositions | 荷兰联合利华有限公司 | 2018-06-26 | — | — | CN | disclosed |
| CN-107266489-A | Include the carbon monoxide-olefin polymeric of the transition metal complex with mercaptides part | 切弗朗菲利浦化学公司 | 2017-10-20 | — | — | CN | disclosed |
| CN-103492395-B | Catalyst composition comprising transition metal complex with thiolate ligand | 切弗朗菲利浦化学公司 | 2017-07-11 | — | — | CN | disclosed |