⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL987539 | 0.83 | TSHR (0.30) | — | |
| SCHEMBL767325 | 0.81 | ALDH1A1 (0.32) | — | |
| SCHEMBL10429387 | 0.79 | ALDH1A1 (0.36) | — | |
| SCHEMBL21484050 | 0.79 | ALDH1A1 (0.36) | — | |
| SCHEMBL10429374 | 0.79 | ALDH1A1 (0.36) | — | |
| SCHEMBL16420274 | 0.75 | RAB9A (0.33) | — | |
| SCHEMBL20639270 | 0.75 | — | — | |
| SCHEMBL991560 | 0.75 | — | — | |
| SCHEMBL10813046 | 0.71 | — | — | |
| SCHEMBL103659 | 0.71 | — | — |
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 |