⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1090984 | 0.80 | — | — | |
| SCHEMBL23995726 | 0.79 | — | — | |
| SCHEMBL23345257 | 0.79 | — | — | |
| SCHEMBL23344715 | 0.76 | POLB (0.31) | — | |
| SCHEMBL23995689 | 0.72 | — | — | |
| SCHEMBL23345239 | 0.71 | — | — | |
| SCHEMBL1091612 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL4968787 | 0.69 | ALDH1A1 (0.40) | — | |
| SCHEMBL23344994 | 0.68 | OPRM1 (0.38) | — | |
| SCHEMBL23345253 | 0.68 | OPRM1 (0.30) | — |
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 |