⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22089735 | 0.85 | — | — | |
| SCHEMBL22092795 | 0.85 | — | — | |
| SCHEMBL22092812 | 0.85 | — | — | |
| SCHEMBL22373388 | 0.74 | GABRP (0.34) | — | |
| SCHEMBL16684202 | 0.71 | EPHX1 (0.32) | — | |
| SCHEMBL5142865 | 0.71 | SLC6A3 (0.31) | — | |
| SCHEMBL15744282 | 0.69 | EPHX1 (0.35) | — | |
| SCHEMBL27772380 | 0.69 | SLC6A1 (0.38) | — | |
| SCHEMBL16581039 | 0.68 | — | — | |
| SCHEMBL27478695 | 0.68 | MEN1 (0.34) | — |
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-109890806-A | Compound and its application as isocitric dehydrogenase inhibitor | 南京圣和药业股份有限公司 | 2019-06-14 | — | — | CN | disclosed |