⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23177 | 0.87 | — | — | |
| SCHEMBL28794145 | 0.82 | — | — | |
| Allylamine SCHEMBL11114361 | 0.67 | — | — | |
| SCHEMBL4407629 | 0.62 | — | — | |
| Butadiene SCHEMBL29193570 | 0.61 | — | — | |
| Propene SCHEMBL28449839 | 0.61 | — | — | |
| Propene SCHEMBL16176242 | 0.61 | — | — | |
| Iodomethane SCHEMBL11627555 | 0.61 | — | — | |
| Formaldehyde SCHEMBL7372322 | 0.59 | — | — | |
| Carbon Monoxide SCHEMBL9016270 | 0.58 | — | — |
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-103619914-B | Organopolysiloxane elastomers and utilization thereof | 道康宁东丽株式会社 | 2016-09-07 | — | — | CN | disclosed |