⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30622817 | 0.83 | ALDH1A1 (0.33) | — | |
| SCHEMBL26645255 | 0.78 | SMO (0.34) | — | |
| SCHEMBL26645086 | 0.73 | CSNK1E (0.39) | — | |
| SCHEMBL26645645 | 0.71 | SMO (0.41) | — | |
| SCHEMBL26645369 | 0.71 | — | — | |
| SCHEMBL26645043 | 0.71 | — | — | |
| SCHEMBL26645373 | 0.71 | — | — | |
| SCHEMBL25433103 | 0.68 | GRM5 (0.41) | — | |
| SCHEMBL26645168 | 0.68 | GRM5 (0.41) | — | |
| SCHEMBL29308619 | 0.66 | MAP4K4 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023213882-A1 | IRREVERSIBLE MUTEGFR INHIBITORS | BAYER AKTIENGESELLSCHAFT (DE) | 2023-11-09 | — | — | WO | disclosed |