⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1245280 | 0.65 | — | — | |
| SCHEMBL1485693 | 0.64 | — | — | |
| SCHEMBL5847747 | 0.63 | — | — | |
| SCHEMBL16384477 | 0.63 | — | — | |
| SCHEMBL2597 | 0.62 | — | — | |
| SCHEMBL15961248 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL2702445 | 0.61 | — | — | |
| Ammonia Solution, Strong SCHEMBL11186815 | 0.61 | — | — | |
| SCHEMBL22161108 | 0.60 | — | — | |
| Bromide SCHEMBL460262 | 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 |
|---|---|---|---|---|---|---|---|
| US-4981856-A | QUINAZOLINE | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-01-01 | — | — | US | disclosed |