⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5848293 | 0.75 | — | — | |
| Butadiene SCHEMBL3312310 | 0.74 | — | — | |
| Butadiene SCHEMBL3313078 | 0.69 | — | — | |
| SCHEMBL925480 | 0.63 | — | — | |
| SCHEMBL117360 | 0.60 | — | — | |
| SCHEMBL3825135 | 0.59 | — | — | |
| SCHEMBL7902536 | 0.57 | — | — | |
| SCHEMBL9388362 | 0.57 | — | — | |
| SCHEMBL17687683 | 0.57 | — | — | |
| Ammonia Solution, Strong SCHEMBL3663452 | 0.57 | — | — |
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-20120136082-A1 | BINDING AGENTS BASED ON HIGHLY BRANCHED POLYOLEFINS COMPRISING SILANE GROUPS | WACKER CHEMIE AG (DE) | 2012-05-31 | — | — | US | disclosed |