⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9540206 | 0.75 | AKR1B1 (0.33) | — | |
| SCHEMBL9539767 | 0.67 | AKR1B1 (0.48) | — | |
| SCHEMBL9540059 | 0.66 | PGR (0.40) | — | |
| SCHEMBL18095002 | 0.59 | PGR (0.53) | — | |
| SCHEMBL30548477 | 0.59 | PGR (0.53) | — | |
| SCHEMBL18095005 | 0.59 | PGR (0.53) | — | |
| SCHEMBL9539048 | 0.59 | PGR (0.40) | — | |
| SCHEMBL9542678 | 0.59 | AKR1B1 (0.38) | — | |
| SCHEMBL9539046 | 0.58 | PGR (0.38) | — | |
| SCHEMBL9539751 | 0.58 | AKR1B1 (0.38) | — |
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-0530994-A1 | Quinazoline derivatives as inhibitors of HIV reverse transcriptase | MERCK & CO. INC. (US) | 1993-03-10 | — | — | EP | disclosed |
| WO-1993004047-A1 | QUINAZOLINE DERIVATIVES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE | MERCK & CO., INC. (US) | 1993-03-04 | — | — | WO | disclosed |