⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL793135 | 0.87 | — | — | |
| Bromide SCHEMBL28700006 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL28720180 | 0.82 | — | — | |
| Nitrous Acid SCHEMBL5014068 | 0.78 | — | — | |
| Nitrous Acid SCHEMBL11363353 | 0.78 | — | — | |
| Formaldoxime SCHEMBL28877287 | 0.75 | — | — | |
| Hydrogen Peroxide SCHEMBL28570900 | 0.71 | — | — | |
| Hydrogen Peroxide SCHEMBL11121110 | 0.71 | — | — | |
| SCHEMBL4020 | 0.71 | — | — | |
| SCHEMBL6245666 | 0.71 | — | — |
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-0488907-A1 | Fibres of polyvinyl chloride reticulated with diisocyanates and process for their preparation | RHOVYL (FR) | 1992-06-03 | — | — | EP | disclosed |