⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12473529 | 0.73 | NOS1 (0.33) | — | |
| SCHEMBL16976567 | 0.73 | — | — | |
| SCHEMBL19366559 | 0.73 | NOS1 (0.33) | — | |
| SCHEMBL16852704 | 0.73 | — | — | |
| SCHEMBL13680210 | 0.71 | NOS1 (0.32) | — | |
| SCHEMBL14140913 | 0.69 | — | — | |
| SCHEMBL19298593 | 0.67 | — | — | |
| SCHEMBL12976247 | 0.67 | — | — | |
| SCHEMBL20220944 | 0.67 | — | — | |
| SCHEMBL21590038 | 0.66 | — | — |
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-2268623-B9 | QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF | AMBIT BIOSCIENCES CORP (US) | 2018-02-28 | — | — | EP | disclosed |
| EP-2376478-B1 | PYRIDYLOXYINDOLES INHIBITORS OF VEGF-R2 AND USE THEREOF FOR TREATMENT OF DISEASE | NOVARTIS AG (CH) | 2017-04-19 | — | — | EP | disclosed |