⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10978329 | 0.77 | ADH1B (0.48) | — | |
| SCHEMBL2092508 | 0.72 | — | — | |
| SCHEMBL11215473 | 0.72 | — | — | |
| SCHEMBL13511599 | 0.72 | THPO (0.48) | — | |
| SCHEMBL21558010 | 0.72 | ADH1B (0.39) | — | |
| SCHEMBL3197403 | 0.71 | — | — | |
| SCHEMBL12619033 | 0.69 | — | — | |
| SCHEMBL18870730 | 0.69 | ADH1B (0.48) | — | |
| SCHEMBL5631432 | 0.69 | — | — | |
| SCHEMBL5651248 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2484678-B1 | 4-(SUBSTITUTED ANILINO)QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS | QILU PHARMACEUTICAL CO LTD (CN) | 2015-01-21 | — | — | EP | disclosed |