⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31313840 | 0.89 | — | — | |
| SCHEMBL16124506 | 0.65 | — | — | |
| SCHEMBL16687196 | 0.60 | — | — | |
| Ethane SCHEMBL6115334 | 0.39 | — | — | |
| SCHEMBL1404242 | 0.39 | — | — | |
| SCHEMBL25436537 | 0.33 | — | — | |
| SCHEMBL17931017 | 0.33 | — | — | |
| SCHEMBL7813261 | 0.33 | — | — | |
| Hydrogen Sulfide SCHEMBL15941638 | 0.33 | — | — | |
| Methyl Alcohol SCHEMBL11298646 | 0.33 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7598322-B1 | particularly tire treads exhibiting reduced rolling resistance; a vulcanized rubbery polymer such as polybutadiene-butadiene-styrene copolymer made from living polymerization using butyllithium initiator and a tributyloxyborane as polymerization terminator | BRIDGESTONE CORPORATION (JP) | 2009-10-06 | — | — | US | claimed |