⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15040614 | 0.70 | — | — | |
| SCHEMBL19021919 | 0.70 | — | — | |
| SCHEMBL18827576 | 0.67 | — | — | |
| SCHEMBL12744753 | 0.67 | — | — | |
| SCHEMBL17850635 | 0.67 | — | — | |
| SCHEMBL11981733 | 0.64 | — | — | |
| SCHEMBL28870585 | 0.64 | — | — | |
| SCHEMBL14007674 | 0.62 | — | — | |
| SCHEMBL19430441 | 0.62 | — | — | |
| SCHEMBL20341220 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2021252678-A1 | HETEROARYL ALKYLENE SUBSTITUTED 2-OXOQUINAZOLINE DERIVATIVES AS METHIONINE ADENOSYLTRANSFERASE 2A INHIBITORS | IDEAYA BIOSCIENCES, INC. (US) | 2021-12-16 | — | — | WO | disclosed |