⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22023911 | 0.75 | SLC2A1 (0.35) | — | |
| Ethoxycarbonyl Group SCHEMBL28125770 | 0.75 | PDE4A (0.32) | — | |
| SCHEMBL21191549 | 0.73 | PDE4A (0.34) | — | |
| SCHEMBL14592897 | 0.70 | ALDH1A1 (0.34) | — | |
| SCHEMBL14592820 | 0.70 | ALDH1A1 (0.34) | — | |
| SCHEMBL8931418 | 0.70 | ALDH1A1 (0.34) | — | |
| SCHEMBL3973887 | 0.69 | CCR2 (0.35) | — | |
| SCHEMBL23634129 | 0.68 | CCR2 (0.36) | — | |
| SCHEMBL22024008 | 0.68 | CCR2 (0.36) | — | |
| SCHEMBL20745972 | 0.67 | PDE4A (0.31) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105658624-A | Carboxamide derivatives and use thereof as medicaments for treatment of hepatitis b | 爱尔兰詹森科学公司 | 2016-06-08 | — | — | CN | disclosed |