⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3630902 | 0.74 | LMNA (0.32) | — | |
| Hydrochloric Acid SCHEMBL31255580 | 0.73 | LMNA (0.32) | — | |
| SCHEMBL19063653 | 0.65 | KDM4E (0.33) | — | |
| SCHEMBL21248972 | 0.64 | SLC6A4 (0.34) | — | |
| SCHEMBL3619346 | 0.64 | SSTR4 (0.30) | — | |
| SCHEMBL19064190 | 0.63 | LMNA (0.33) | — | |
| SCHEMBL12372456 | 0.62 | LMNA (0.38) | — | |
| SCHEMBL14598126 | 0.62 | LMNA (0.33) | — | |
| SCHEMBL1487050 | 0.62 | LMNA (0.38) | — | |
| SCHEMBL3828367 | 0.62 | LMNA (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-117916232-A | Heterocyclic EGFR inhibitors for the treatment of cancer | 缆图药品公司 | 2024-04-19 | — | — | CN | disclosed |