⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9508917 | 0.93 | SLC2A1 (0.47) | — | |
| SCHEMBL9510869 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL9776804 | 0.85 | — | — | |
| SCHEMBL9508882 | 0.83 | SLC2A1 (0.46) | — | |
| SCHEMBL9776757 | 0.83 | SLC2A1 (0.48) | — | |
| Bromide SCHEMBL9510883 | 0.82 | SLC2A1 (0.46) | — | |
| SCHEMBL9509700 | 0.79 | MEN1 (0.50) | — | |
| SCHEMBL9508947 | 0.79 | — | — | |
| SCHEMBL9508885 | 0.78 | SLC2A1 (0.57) | — | |
| Hydrochloric Acid SCHEMBL9776703 | 0.77 | SLC2A1 (0.56) | — |
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 2 patents. 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 | disclosed |
| EP-0404322-A1 | Quinazoline derivatives | SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) | 1990-12-27 | — | — | EP | disclosed |