⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13501654 | 0.73 | — | — | |
| SCHEMBL14402164 | 0.71 | INMT (0.33) | — | |
| SCHEMBL14075193 | 0.68 | — | — | |
| SCHEMBL14388278 | 0.67 | — | — | |
| SCHEMBL14423078 | 0.67 | — | — | |
| SCHEMBL14401321 | 0.66 | — | — | |
| SCHEMBL18784060 | 0.65 | P2RX7 (0.41) | — | |
| SCHEMBL14401319 | 0.65 | — | — | |
| SCHEMBL24235264 | 0.65 | — | — | |
| SCHEMBL19546254 | 0.65 | F2 (0.38) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10711014-B2 | Mutant KRas inhibitors | H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) | 2020-07-14 | — | — | US | disclosed |
| CN-104428331-B | Active energy beam polymer resin composition and the laminated body for using the resin combination | 东洋油墨SC控股株式会社 | 2019-02-15 | — | — | CN | disclosed |