⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL970126 | 0.85 | — | — | |
| SCHEMBL4465131 | 0.72 | — | — | |
| SCHEMBL7853101 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL7855207 | 0.67 | NOS1 (0.31) | — | |
| SCHEMBL7844495 | 0.67 | NOS1 (0.31) | — | |
| SCHEMBL5929027 | 0.65 | — | — | |
| SCHEMBL64340 | 0.65 | — | — | |
| SCHEMBL6464538 | 0.65 | — | — | |
| SCHEMBL2430514 | 0.64 | — | — | |
| SCHEMBL10570885 | 0.64 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117940424-A | EGFR inhibitors | 缆图药品公司 | 2024-04-26 | — | — | CN | disclosed |
| CN-117916232-A | Heterocyclic EGFR inhibitors for the treatment of cancer | 缆图药品公司 | 2024-04-19 | — | — | CN | disclosed |
| CN-117858872-A | Heterocyclic EGFR inhibitors for the treatment of cancer | 缆图药品公司 | 2024-04-09 | — | — | CN | disclosed |
| CN-117836286-A | Heterocyclic EGFR inhibitors for the treatment of cancer | 缆图药品公司 | 2024-04-05 | — | — | CN | disclosed |