⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL29216154 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL28556045 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL29216153 | 0.68 | — | — | |
| Propane SCHEMBL29233442 | 0.66 | ALDH1A1 (0.32) | — | |
| SCHEMBL906550 | 0.66 | — | — | |
| SCHEMBL28721537 | 0.64 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL29167992 | 0.64 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL28911642 | 0.63 | OPRM1 (0.35) | — | |
| SCHEMBL28911655 | 0.63 | OPRM1 (0.35) | — | |
| SCHEMBL28468408 | 0.63 | OPRM1 (0.35) | — |
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 |