⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30911641 | 0.75 | POLB (0.39) | — | |
| SCHEMBL17849522 | 0.70 | KMT2A (0.33) | — | |
| SCHEMBL593900 | 0.69 | PDE2A (0.33) | — | |
| SCHEMBL25538937 | 0.68 | SIRT6 (0.33) | — | |
| SCHEMBL31262723 | 0.68 | MAP4K4 (0.31) | — | |
| SCHEMBL17573283 | 0.68 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL30911550 | 0.66 | CHRM2 (0.34) | — | |
| SCHEMBL31002370 | 0.66 | CHRM2 (0.34) | — | |
| SCHEMBL30911776 | 0.66 | TDP1 (0.36) | — | |
| SCHEMBL16443770 | 0.65 | HCAR3 (0.35) | — |
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-117980297-A | Substituted aminopyridine compounds as EGFR inhibitors | 柳韩洋行 | 2024-05-03 | — | — | CN | disclosed |