⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24592398 | 0.89 | — | — | |
| SCHEMBL22328032 | 0.79 | HTR1A (0.32) | — | |
| SCHEMBL24089391 | 0.72 | HDAC4 (0.31) | — | |
| SCHEMBL18408663 | 0.71 | MAPT (0.34) | — | |
| SCHEMBL22328033 | 0.70 | EZH2 (0.35) | — | |
| SCHEMBL26578040 | 0.69 | — | — | |
| SCHEMBL21662938 | 0.67 | EZH2 (0.39) | — | |
| SCHEMBL22349112 | 0.67 | HTR2A (0.34) | — | |
| SCHEMBL22924153 | 0.66 | PROKR1 (0.32) | — | |
| SCHEMBL24089504 | 0.66 | — | — |
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 |