⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26645043 | 1.00 | — | — | |
| SCHEMBL26645369 | 1.00 | — | — | |
| SCHEMBL26645349 | 0.82 | SETD7 (0.34) | — | |
| SCHEMBL26645470 | 0.76 | SMO (0.40) | — | |
| SCHEMBL26645595 | 0.76 | SMO (0.34) | — | |
| SCHEMBL26645067 | 0.76 | SMO (0.40) | — | |
| SCHEMBL26645666 | 0.76 | SMO (0.34) | — | |
| SCHEMBL26645225 | 0.76 | SMO (0.40) | — | |
| SCHEMBL26645657 | 0.76 | SMO (0.40) | — | |
| SCHEMBL16701069 | 0.75 | — | — |
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 |