⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4792482 | 0.88 | BUB1 (0.34) | — | |
| SCHEMBL28257989 | 0.85 | BUB1 (0.33) | — | |
| SCHEMBL25277532 | 0.79 | BUB1 (0.34) | — | |
| SCHEMBL708627 | 0.79 | BUB1 (0.34) | — | |
| SCHEMBL28539800 | 0.79 | FFAR3 (0.32) | — | |
| SCHEMBL28539801 | 0.79 | FFAR3 (0.32) | — | |
| SCHEMBL21598808 | 0.74 | DDB1 (0.38) | — | |
| SCHEMBL20869163 | 0.72 | FFAR3 (0.30) | — | |
| SCHEMBL27821425 | 0.72 | P2RX7 (0.38) | — | |
| SCHEMBL31599529 | 0.71 | DDB1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112513021-A | ROR gamma antagonist and application thereof in medicine | 广东东阳光药业有限公司 | 2021-03-16 | — | — | CN | disclosed |