⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7844597 | 0.67 | NISCH (0.31) | — | |
| SCHEMBL7856072 | 0.66 | — | — | |
| SCHEMBL11180254 | 0.61 | CYP1A2 (0.38) | — | |
| SCHEMBL6747168 | 0.60 | BRD4 (0.54) | — | |
| SCHEMBL2951171 | 0.60 | BRD4 (0.43) | — | |
| SCHEMBL7739663 | 0.60 | NOS2 (0.34) | — | |
| SCHEMBL3290527 | 0.59 | POLB (0.35) | — | |
| SCHEMBL7733140 | 0.58 | NOS2 (0.33) | — | |
| SCHEMBL7739436 | 0.58 | NOS2 (0.33) | — | |
| SCHEMBL7732768 | 0.58 | NOS2 (0.33) | — |
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-7456286-B2 | Bicyclic heteroaromatic compounds as kinase inhibitors | UCB PHARMA, S.A. (BE) | 2008-11-25 | — | — | US | disclosed |
| US-20060122212-A1 | Bicyclic heteroaromatic compounds as kinase inhibitors | CELLTECH R&D LIMITED (GB) | 2006-06-08 | — | — | US | disclosed |