⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2466176 | 0.84 | — | — | |
| SCHEMBL27927 | 0.84 | — | — | |
| SCHEMBL27928 | 0.84 | — | — | |
| SCHEMBL2466169 | 0.84 | — | — | |
| SCHEMBL347995 | 0.84 | — | — | |
| Vinyl Chloride SCHEMBL4153611 | 0.80 | — | — | |
| Formaldehyde SCHEMBL28083403 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL23631406 | 0.77 | — | — | |
| SCHEMBL21828781 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL20680056 | 0.77 | — | — |
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-109019872-A | A method of strengthening dehalogenation using tourmaline and intends coccus dechlorination | 奥为（天津）环保科技有限公司 | 2018-12-18 | — | — | CN | disclosed |