⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL140171 | 0.92 | — | — | |
| SCHEMBL153057 | 0.90 | — | — | |
| SCHEMBL730340 | 0.80 | — | — | |
| SCHEMBL728591 | 0.80 | — | — | |
| SCHEMBL18258662 | 0.76 | — | — | |
| SCHEMBL11295791 | 0.76 | — | — | |
| SCHEMBL1547780 | 0.75 | — | — | |
| Toluene SCHEMBL28186235 | 0.74 | TSHR (0.35) | — | |
| SCHEMBL17272674 | 0.74 | — | — | |
| SCHEMBL28059507 | 0.73 | CYP3A4 (0.30) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7026425-B2 | Moisture crosslinking elastomer composition | CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) | 2006-04-11 | — | — | US | disclosed |
| US-20040260037-A1 | Moisture cross-linking elastic composition | WACKER CHEMIE AG (DE) | 2004-12-23 | — | — | US | disclosed |