⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5100957 | 0.91 | — | — | |
| SCHEMBL2503485 | 0.88 | — | — | |
| SCHEMBL3711844 | 0.86 | — | — | |
| SCHEMBL3708196 | 0.85 | — | — | |
| SCHEMBL3703321 | 0.83 | — | — | |
| SCHEMBL2507943 | 0.81 | — | — | |
| SCHEMBL4920900 | 0.78 | SOS1 (0.30) | — | |
| SCHEMBL596537 | 0.70 | — | — | |
| SCHEMBL3707605 | 0.68 | CXCR4 (0.30) | — | |
| SCHEMBL334983 | 0.67 | — | — |
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-7622471-B2 | Pyrazole derivatives having a pyridazine and pyridine functionality | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2009-11-24 | — | — | US | disclosed |
| US-20060128685-A1 | Pyrazole derivative | DAIICHI PHARMACEUTICAL CO., LTD., (JP) | 2006-06-15 | — | — | US | disclosed |