⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6962139 | 0.73 | — | — | |
| SCHEMBL2426474 | 0.73 | — | — | |
| SCHEMBL194985 | 0.69 | — | — | |
| SCHEMBL6971336 | 0.69 | — | — | |
| SCHEMBL6967181 | 0.69 | — | — | |
| SCHEMBL13282712 | 0.67 | — | — | |
| SCHEMBL13644402 | 0.64 | — | — | |
| SCHEMBL606278 | 0.64 | — | — | |
| SCHEMBL9132524 | 0.64 | — | — | |
| SCHEMBL8103970 | 0.64 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5580870-A | ANTICARCINOGENIC AGENTS | ZENECA LIMITED (GB) | 1996-12-03 | — | — | US | disclosed |
| 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 |
| US-4281127-A | USEFUL AS ANTIALLERGENS | HOFFMANN-LA ROCHE INC. (US) | 1981-07-28 | — | — | US | disclosed |
| US-4109091-A | CNS DEPRESSANTS, ANTIINFLAMMATORY AGENTS | E. R. SQUIBB & SONS, INC. (US) | 1978-08-22 | — | — | US | disclosed |
| US-4109087-A | CNS DEPRESSANTS, ANTIINFLAMMATORY AGENTS | E. R. SQUIBB & SONS, INC. (US) | 1978-08-22 | — | — | US | disclosed |
| US-4072679-A | CNS DEPRESSANTS, ANTIINFLAMMATORY AGENTS | E. R. SQUIBB & SONS, INC. (US) | 1978-02-07 | — | — | US | disclosed |
| US-4020072-A | PSYCHOTROPIC | E. R. SQUIBB & SONS, INC. (US) | 1977-04-26 | — | — | US | disclosed |