⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL802374 | 0.71 | — | — | |
| SCHEMBL23091974 | 0.67 | — | — | |
| SCHEMBL12127323 | 0.67 | — | — | |
| SCHEMBL24740838 | 0.65 | HPGD (0.37) | — | |
| SCHEMBL25988538 | 0.65 | POLB (0.35) | — | |
| SCHEMBL12896014 | 0.63 | LMNA (0.32) | — | |
| SCHEMBL24575050 | 0.63 | KDM4E (0.40) | — | |
| SCHEMBL24740664 | 0.62 | HPGD (0.38) | — | |
| SCHEMBL11321780 | 0.62 | KMT2A (0.32) | — | |
| SCHEMBL24740665 | 0.62 | — | — |
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-8304414-B2 | Pyrazole compounds useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-11-06 | — | — | US | disclosed |
| US-20080287444-A1 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED | 2008-11-20 | — | — | US | disclosed |