⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL361501 | 1.00 | — | — | |
| Benzil SCHEMBL362676 | 0.79 | CES2 (0.48) | — | |
| SCHEMBL799687 | 0.78 | — | — | |
| SCHEMBL318097 | 0.78 | — | — | |
| SCHEMBL31083628 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL2162845 | 0.76 | NOS3 (0.42) | — | |
| SCHEMBL21556809 | 0.76 | — | — | |
| SCHEMBL7662004 | 0.74 | — | — | |
| SCHEMBL2843454 | 0.74 | — | — | |
| SCHEMBL21047964 | 0.74 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111315735-B | Dihydrobenzimidazolone | C4医药公司 | 2024-03-08 | — | — | CN | disclosed |
| CN-110914268-B | [1,2,4] triazolo [4,3-a ] pyrazin-6 (5H) -one derivatives | 伊莱利利公司 | 2022-04-19 | — | — | CN | disclosed |