⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20917425 | 0.72 | HTT (0.43) | — | |
| SCHEMBL11340841 | 0.72 | SKP2 (0.43) | — | |
| SCHEMBL2966915 | 0.68 | TYR (0.37) | — | |
| SCHEMBL28356330 | 0.65 | TYR (0.56) | — | |
| SCHEMBL8585742 | 0.62 | HPGD (0.43) | — | |
| SCHEMBL8514139 | 0.62 | ALDH1A1 (0.45) | — | |
| SCHEMBL21224708 | 0.61 | TYR (0.44) | — | |
| SCHEMBL27822394 | 0.61 | HPGD (0.46) | — | |
| SCHEMBL27600500 | 0.61 | HTT (0.42) | — | |
| SCHEMBL12650319 | 0.61 | GAA (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11332455-B2 | α,β-unsaturated amide compound | KYOWA KIRIN CO., LTD. (JP) | 2022-05-17 | — | — | US | disclosed |
| US-20210380551-A1 | ALPHA,BETA-UNSATURATED AMIDE COMPOUND | KYOWA KIRIN CO., LTD. (JP) | 2021-12-09 | — | — | US | disclosed |