⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL867626 | 0.87 | — | — | |
| SCHEMBL31517221 | 0.80 | — | — | |
| Water SCHEMBL27918096 | 0.80 | — | — | |
| SCHEMBL458306 | 0.72 | — | — | |
| SCHEMBL10387277 | 0.71 | — | — | |
| Benzene SCHEMBL28112029 | 0.71 | TP53 (0.33) | — | |
| Ethylene SCHEMBL11699171 | 0.63 | — | — | |
| SCHEMBL16660783 | 0.62 | — | — | |
| SCHEMBL14780899 | 0.62 | — | — | |
| Sulfurous Acid SCHEMBL197349 | 0.62 | CA1 (0.75) | — |
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-103469617-B | A kind of Pilus Caprae seu Ovis is without salt dyestuff and colouring method thereof | 桐乡市濮院毛针织技术服务中心 | 2016-09-14 | — | — | CN | disclosed |