⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24464822 | 0.79 | — | — | |
| SCHEMBL12310625 | 0.79 | — | — | |
| SCHEMBL4391467 | 0.79 | — | — | |
| SCHEMBL28063791 | 0.77 | — | — | |
| SCHEMBL19599288 | 0.77 | CES1 (0.41) | — | |
| SCHEMBL11152978 | 0.77 | CES1 (0.41) | — | |
| SCHEMBL11152980 | 0.77 | CES1 (0.41) | — | |
| SCHEMBL10817278 | 0.75 | — | — | |
| SCHEMBL12820662 | 0.75 | ALDH1A1 (0.40) | — | |
| SCHEMBL10817279 | 0.75 | — | — |
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 |