⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15461408 | 0.75 | CYP2D6 (0.35) | — | |
| SCHEMBL23344766 | 0.74 | CYP2D6 (0.32) | — | |
| SCHEMBL24597148 | 0.73 | TP53 (0.32) | — | |
| SCHEMBL23344764 | 0.73 | — | — | |
| SCHEMBL23344771 | 0.70 | TP53 (0.32) | — | |
| SCHEMBL23344769 | 0.68 | CYP2D6 (0.31) | — | |
| SCHEMBL9882953 | 0.67 | CYP2D6 (0.33) | — | |
| SCHEMBL24928385 | 0.65 | CRHBP (0.37) | — | |
| SCHEMBL23075806 | 0.64 | SMN1; SMN2 (0.43) | — | |
| SCHEMBL13929775 | 0.64 | CYP2D6 (0.43) | — |
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-20210139517-A1 | BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF | Revolution Medicines, Inc. | 2021-05-13 | — | — | US | disclosed |