⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL687931 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL7795094 | 0.88 | — | — | |
| SCHEMBL3844196 | 0.88 | — | — | |
| Fluoride SCHEMBL1130418 | 0.88 | — | — | |
| Bromide SCHEMBL7922512 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL615508 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL6207091 | 0.86 | — | — | |
| Chloromethane SCHEMBL6208681 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL16949839 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL4526143 | 0.84 | — | — |
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-1182095-A | Ethylene-alpha-olefin copolymer | MITSUBISHI CHEM CORP (JP) | 1998-05-20 | — | — | CN | disclosed |