⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL181798 | 1.00 | — | — | |
| SCHEMBL181797 | 1.00 | — | — | |
| SCHEMBL27471323 | 0.92 | — | — | |
| SCHEMBL7795305 | 0.80 | — | — | |
| SCHEMBL27471322 | 0.80 | TRPA1 (0.30) | — | |
| SCHEMBL2704145 | 0.77 | — | — | |
| SCHEMBL2689012 | 0.77 | — | — | |
| SCHEMBL2689009 | 0.77 | — | — | |
| SCHEMBL132827 | 0.77 | — | — | |
| SCHEMBL2704142 | 0.77 | — | — |
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-4006035-A1 | QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER | Neupharma, Inc. (US) | 2022-06-01 | — | — | EP | disclosed |