⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22328041 | 0.84 | KDR (0.34) | — | |
| SCHEMBL25667661 | 0.79 | ADORA2A (0.33) | — | |
| SCHEMBL25696139 | 0.75 | — | — | |
| SCHEMBL22328048 | 0.73 | — | — | |
| SCHEMBL22328047 | 0.71 | NOS3 (0.33) | — | |
| SCHEMBL25702366 | 0.70 | METAP2 (0.34) | — | |
| SCHEMBL29297677 | 0.66 | HTR1D (0.45) | — | |
| SCHEMBL25667667 | 0.66 | KDR (0.37) | — | |
| SCHEMBL15215000 | 0.64 | RAPGEF4 (0.32) | — | |
| SCHEMBL14846045 | 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 |
|---|---|---|---|---|---|---|---|
| US-20210024501-A1 | COVALENT INHIBITORS OF KRAS | ARAXES PHARMA LLC | 2021-01-28 | — | — | US | disclosed |