⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12066408 | 0.70 | GABBR2 (0.31) | — | |
| SCHEMBL10454073 | 0.68 | — | — | |
| SCHEMBL12778631 | 0.66 | — | — | |
| SCHEMBL10234493 | 0.66 | — | — | |
| SCHEMBL20754908 | 0.63 | GABBR2 (0.31) | — | |
| SCHEMBL293753 | 0.61 | — | — | |
| SCHEMBL5592146 | 0.60 | — | — | |
| SCHEMBL48612 | 0.59 | — | — | |
| SCHEMBL12824735 | 0.59 | — | — | |
| SCHEMBL25167736 | 0.57 | TSHR (0.60) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2295412-A1 | Indazole compounds useful as protein kinase inhibitors | Vertex Pharmaceuticals Incorporated (US) | 2011-03-16 | — | — | EP | disclosed |