⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15025923 | 0.76 | — | — | |
| SCHEMBL18921698 | 0.71 | FFAR1 (0.34) | — | |
| SCHEMBL29911669 | 0.71 | FFAR1 (0.34) | — | |
| SCHEMBL29925415 | 0.71 | CCR1 (0.35) | — | |
| SCHEMBL114902 | 0.71 | CCR1 (0.35) | — | |
| SCHEMBL29955213 | 0.68 | AGBL2 (0.35) | — | |
| SCHEMBL3576871 | 0.68 | AGBL2 (0.35) | — | |
| SCHEMBL432991 | 0.68 | CYP11B2 (0.33) | — | |
| SCHEMBL29952123 | 0.68 | — | — | |
| SCHEMBL3108377 | 0.67 | AGBL2 (0.40) | — |
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-112142655-A | Biaryl kinase inhibitors | 百时美施贵宝公司 | 2020-12-29 | — | — | CN | disclosed |
| CN-108368084-B | Biaryl kinase inhibitors | 百时美施贵宝公司 | 2020-10-16 | — | — | CN | disclosed |