⚠ 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 SCHEMBL9508200 | 0.99 | — | — | |
| SCHEMBL9776764 | 0.88 | — | — | |
| SCHEMBL9508870 | 0.88 | — | — | |
| Bromide SCHEMBL9508831 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL9776934 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL9811774 | 0.87 | — | — | |
| SCHEMBL9511897 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL9776762 | 0.85 | — | — | |
| SCHEMBL9508893 | 0.82 | — | — | |
| Bromide SCHEMBL9510888 | 0.82 | — | — |
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-0404322-B1 | QUINAZOLINE DERIVATIVES | SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) | 1993-09-22 | — | — | EP | claimed |