⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10938625 | 0.70 | — | — | |
| Propane SCHEMBL3815919 | 0.69 | — | — | |
| SCHEMBL4777933 | 0.65 | GNAO1 (0.34) | — | |
| SCHEMBL920032 | 0.63 | — | — | |
| SCHEMBL4747698 | 0.61 | — | — | |
| SCHEMBL919602 | 0.59 | — | — | |
| SCHEMBL8393739 | 0.58 | CYP1A2 (0.37) | — | |
| SCHEMBL26068 | 0.58 | CYP1A2 (0.37) | — | |
| SCHEMBL7025164 | 0.57 | — | — | |
| Hydrochloric Acid SCHEMBL6820705 | 0.56 | GBA1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2002087587-A2 | 4-AMINOSULFONYLQUINAZOLINES AND -QUINOLINES AS TYROSINE KINASE INHIBITORS | CELLTECH R & D LIMITED (GB) | 2002-11-07 | — | — | WO | disclosed |