⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8710888 | 0.97 | — | — | |
| SCHEMBL8710881 | 0.97 | — | — | |
| SCHEMBL19671062 | 0.77 | — | — | |
| SCHEMBL10890930 | 0.69 | — | — | |
| Butenyl Isothiocyanate SCHEMBL28977602 | 0.65 | — | — | |
| Butenyl Isothiocyanate SCHEMBL29474199 | 0.65 | — | — | |
| SCHEMBL24027281 | 0.65 | — | — | |
| SCHEMBL1830629 | 0.65 | — | — | |
| SCHEMBL2457358 | 0.65 | — | — | |
| SCHEMBL8521310 | 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-112609294-B | Environment-friendly antibacterial anti-mite fiber fabric for home textiles | 安徽三宝棉纺针织投资有限公司 | 2022-05-27 | — | — | CN | disclosed |