⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27500691 | 0.70 | — | — | |
| SCHEMBL8297090 | 0.67 | — | — | |
| SCHEMBL27546266 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL23466839 | 0.67 | — | — | |
| SCHEMBL18599212 | 0.65 | — | — | |
| SCHEMBL14548311 | 0.65 | — | — | |
| SCHEMBL23913519 | 0.64 | — | — | |
| SCHEMBL14685906 | 0.64 | — | — | |
| SCHEMBL23948247 | 0.62 | — | — | |
| SCHEMBL10098416 | 0.62 | — | — |
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-2022234853-A1 | CYCLIC COMPOUND HAVING INHIBITORY EFFECT SELECTIVE FOR KRAS BUT NOT FOR HRAS AND NRAS | 中外製薬株式会社 | 2022-11-10 | — | — | WO | disclosed |