⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL820172 | 0.97 | — | — | |
| SCHEMBL4480097 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL221973 | 0.94 | — | — | |
| SCHEMBL4576021 | 0.94 | — | — | |
| Hydrogen Sulfide SCHEMBL220005 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL597368 | 0.94 | — | — | |
| Fluoride SCHEMBL863576 | 0.94 | — | — | |
| Ethane SCHEMBL9168230 | 0.94 | — | — | |
| SCHEMBL9579650 | 0.94 | — | — | |
| Methane SCHEMBL9168791 | 0.94 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0584860-B1 | Selective partial hydrogenation of conjugated diene polymers | SHELL INT RESEARCH (NL) | 1999-05-26 | — | — | EP | disclosed |