⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24597131 | 0.77 | ALDH1A1 (0.30) | — | |
| SCHEMBL18843033 | 0.74 | — | — | |
| SCHEMBL23345003 | 0.74 | — | — | |
| SCHEMBL23995669 | 0.73 | — | — | |
| SCHEMBL23344994 | 0.71 | OPRM1 (0.38) | — | |
| SCHEMBL22063472 | 0.70 | GRIN2D (0.37) | — | |
| SCHEMBL1090984 | 0.70 | — | — | |
| SCHEMBL10202610 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL18849837 | 0.69 | — | — | |
| SCHEMBL24853986 | 0.68 | GRIN2D (0.33) | — |
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-11168102-B1 | Bicyclic heteroaryl compounds and uses thereof | Revolution Medicines, Inc. (US) | 2021-11-09 | — | — | US | disclosed |
| US-20210139517-A1 | BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF | Revolution Medicines, Inc. | 2021-05-13 | — | — | US | disclosed |