⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2066023 | 0.74 | — | — | |
| SCHEMBL23976282 | 0.72 | — | — | |
| SCHEMBL5692307 | 0.70 | TSHR (0.32) | — | |
| SCHEMBL21590364 | 0.70 | THRB (0.33) | — | |
| SCHEMBL4930608 | 0.70 | THRB (0.33) | — | |
| SCHEMBL23986933 | 0.70 | KDM4E (0.36) | — | |
| SCHEMBL19156672 | 0.70 | CACNA1F (0.33) | — | |
| SCHEMBL23236856 | 0.69 | GABRR1 (0.31) | — | |
| SCHEMBL17773122 | 0.67 | SLC22A6 (0.42) | — | |
| SCHEMBL18859449 | 0.67 | — | — |
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 |