⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9508893 | 0.87 | — | — | |
| Bromide SCHEMBL9510888 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL9776665 | 0.85 | — | — | |
| SCHEMBL9508894 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL9776709 | 0.83 | — | — | |
| SCHEMBL9776705 | 0.83 | NPC1 (0.59) | — | |
| Hydrochloric Acid SCHEMBL9776836 | 0.82 | NPC1 (0.61) | — | |
| Hydrochloric Acid SCHEMBL9776921 | 0.82 | NPC1 (0.61) | — | |
| SCHEMBL9508929 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL9776694 | 0.79 | NPC1 (0.55) | — |
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 8 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 | claimed |
| US-5064833-A | Substituted quinazoline derivatives for use in gastrointestinal diseases | SMITHKLINE BEECHAM INTERCREDIT B.V. (GB) | 1991-11-12 | — | — | US | claimed |
| EP-0404322-A1 | Quinazoline derivatives | SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) | 1990-12-27 | — | — | EP | claimed |
| JP-3017068-A | — | — | None | — | — | JP | disclosed |
| EP-0404322-B1 | QUINAZOLINE DERIVATIVES | SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) | 1993-09-22 | — | — | EP | disclosed |
| US-5064833-A | Substituted quinazoline derivatives for use in gastrointestinal diseases | SMITHKLINE BEECHAM INTERCREDIT B.V. (GB) | 1991-11-12 | — | — | US | disclosed |
| JP-H0317068-A | SUBSTITUTED QUAINAZOLINE DERIVATIVE | SMITHKLINE BEECHAM INTERCREDIT BV | 1991-01-25 | — | — | JP | disclosed |
| EP-0404322-A1 | Quinazoline derivatives | SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) | 1990-12-27 | — | — | EP | disclosed |