⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21163453 | 0.79 | — | — | |
| SCHEMBL8814059 | 0.77 | — | — | |
| SCHEMBL733527 | 0.73 | — | — | |
| SCHEMBL733526 | 0.73 | — | — | |
| SCHEMBL5824452 | 0.72 | — | — | |
| SCHEMBL1114621 | 0.71 | ALDH1A1 (0.42) | — | |
| SCHEMBL48574 | 0.69 | — | — | |
| SCHEMBL101047 | 0.69 | — | — | |
| SCHEMBL21831931 | 0.69 | ALDH1A1 (0.40) | — | |
| SCHEMBL4444502 | 0.69 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5821246-A | USEFUL AS TYROSINE KINASE INHIBITORS AND FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER | ZENECA LIMITED (GB) | 1998-10-13 | — | — | US | disclosed |
| EP-0790986-A1 | ANILINE DERIVATIVES | ZENECA LIMITED (GB) | 1997-08-27 | — | — | EP | disclosed |
| WO-1996015118-A1 | ANILINE DERIVATIVES | ZENECA LIMITED (GB) | 1996-05-23 | — | — | WO | disclosed |
| US-5475001-A | Quinazoline derivatives | ZENECA LIMITED (GB) | 1995-12-12 | — | — | US | disclosed |
| WO-1995003283-A1 | QUINAZOLINE DERIVATIVES AND THEIR USE AS ANTI-CANCER AGENTS | ZENECA LIMITED (GB) | 1995-02-02 | — | — | WO | disclosed |