⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2460607 | 0.82 | — | — | |
| Formic Acid Methyl Ester SCHEMBL29151137 | 0.71 | DRD2 (0.35) | — | |
| Piperazine SCHEMBL27500519 | 0.70 | HIF1A (0.40) | — | |
| SCHEMBL22926564 | 0.69 | — | — | |
| Piperazine SCHEMBL28232386 | 0.67 | HIF1A (0.38) | — | |
| Piperazine SCHEMBL28231334 | 0.67 | HIF1A (0.38) | — | |
| SCHEMBL29201501 | 0.67 | — | — | |
| Pyrrolidine SCHEMBL27798503 | 0.65 | — | — | |
| Formic Acid Methyl Ester SCHEMBL27724087 | 0.65 | — | — | |
| Azetidine SCHEMBL28132577 | 0.65 | — | — |
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-106188027-A | Heteroaromatic analog derivative and the application in medicine thereof | 广东东阳光药业有限公司 | 2016-12-07 | — | — | CN | disclosed |