⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL163574 | 1.00 | — | — | |
| SCHEMBL163573 | 1.00 | — | — | |
| SCHEMBL27374432 | 0.97 | — | — | |
| SCHEMBL27524407 | 0.94 | — | — | |
| Trimethylammonium SCHEMBL27677298 | 0.91 | PTGS1 (0.34) | — | |
| SCHEMBL11502048 | 0.84 | TSHR (0.36) | — | |
| SCHEMBL6272196 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL27263973 | 0.77 | PTGS1 (0.38) | — | |
| SCHEMBL11210141 | 0.73 | — | — | |
| SCHEMBL11210142 | 0.73 | — | — |
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-0023594-B1 | TRANS-QUINAZOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND MEDICAMENTS CONTAINING THESE DERIVATIVES | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1984-05-16 | — | — | EP | disclosed |
| EP-0023594-A1 | Trans-Quinazoline derivatives, processes for their preparation, intermediates and medicaments containing these derivatives | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1981-02-11 | — | — | EP | disclosed |