⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30592426 | 0.84 | MAPT (0.33) | — | |
| SCHEMBL12636376 | 0.84 | PDE4A (0.34) | — | |
| SCHEMBL5026957 | 0.74 | PDPK1 (0.34) | — | |
| SCHEMBL3706204 | 0.71 | — | — | |
| SCHEMBL859422 | 0.69 | — | — | |
| SCHEMBL12051931 | 0.68 | RXFP1 (0.36) | — | |
| SCHEMBL13827094 | 0.68 | MAPT (0.35) | — | |
| SCHEMBL8382893 | 0.67 | ALDH1A1 (0.30) | — | |
| SCHEMBL21087447 | 0.65 | ALDH1A1 (0.30) | — | |
| SCHEMBL12252168 | 0.65 | NUDT1 (0.37) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7842712-B2 | Indazolinone compositions useful as kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-11-30 | — | — | US | disclosed |