⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL612910 | 0.78 | DRD2 (0.32) | — | |
| SCHEMBL28227784 | 0.78 | DRD2 (0.32) | — | |
| SCHEMBL25460412 | 0.74 | — | — | |
| SCHEMBL10346285 | 0.74 | DRD2 (0.33) | — | |
| SCHEMBL29226712 | 0.74 | — | — | |
| SCHEMBL11707404 | 0.74 | — | — | |
| SCHEMBL28128390 | 0.74 | — | — | |
| SCHEMBL8506971 | 0.74 | — | — | |
| SCHEMBL27619716 | 0.70 | — | — | |
| SCHEMBL11563096 | 0.68 | DRD2 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110317375-A | A kind of ice face oil-proof anti-skid footwear material and preparation method thereof | 温州市宜和鞋材有限公司 | 2019-10-11 | — | — | CN | disclosed |
| CN-108239045-A | The synthetic method of vulcanization accelerator 2-[4-morpholinodithio base-N- morpholinyl thioethers | 成都卡迪夫科技有限公司 | 2018-07-03 | — | — | CN | disclosed |