⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4532005 | 0.85 | PARP1 (0.33) | — | |
| SCHEMBL10171943 | 0.77 | KDM4E (0.31) | — | |
| SCHEMBL21389717 | 0.77 | PDPK1 (0.33) | — | |
| SCHEMBL10139176 | 0.77 | HPGD (0.37) | — | |
| SCHEMBL16211446 | 0.76 | CSNK2A1 (0.31) | — | |
| SCHEMBL16146290 | 0.76 | MEN1 (0.33) | — | |
| Ammonia Solution, Strong SCHEMBL20596709 | 0.76 | — | — | |
| SCHEMBL3388656 | 0.76 | — | — | |
| SCHEMBL12948554 | 0.76 | KDM4E (0.31) | — | |
| SCHEMBL16145905 | 0.76 | CSNK2A1 (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-7601713-B2 | Kinase inhibitors and their uses | RIGEL PHARMACEUTICALS, INC. (US) | 2009-10-13 | — | — | US | disclosed |
| US-20070142402-A1 | Kinase Inhibitors And Their Uses | RIGEL PHARMACEUTICALS, INC. (US) | 2007-06-21 | — | — | US | disclosed |