⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19669904 | 0.91 | — | — | |
| SCHEMBL24070452 | 0.75 | — | — | |
| SCHEMBL14946733 | 0.75 | — | — | |
| SCHEMBL23170009 | 0.75 | — | — | |
| SCHEMBL4969030 | 0.69 | — | — | |
| SCHEMBL4549129 | 0.69 | — | — | |
| SCHEMBL4969038 | 0.69 | — | — | |
| SCHEMBL21985370 | 0.67 | — | — | |
| SCHEMBL5489375 | 0.66 | — | — | |
| SCHEMBL5489373 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9834571-B2 | Compounds for inhibiting cell proliferation in EGFR-driven cancers | ARIAD PHARMACEUTICALS, INC. (US) | 2017-12-05 | — | — | US | disclosed |