⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5634024 | 1.00 | — | — | |
| SCHEMBL5633285 | 0.97 | — | — | |
| SCHEMBL5635762 | 0.87 | — | — | |
| SCHEMBL5865687 | 0.83 | — | — | |
| SCHEMBL29957532 | 0.83 | — | — | |
| SCHEMBL418760 | 0.83 | — | — | |
| SCHEMBL403943 | 0.79 | — | — | |
| Cyanide SCHEMBL8812401 | 0.73 | — | — | |
| SCHEMBL1548258 | 0.71 | — | — | |
| SCHEMBL1548280 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6512059-B1 | Composition for coating shaped articles or elastomeric materials | WACKER-CHEMIE GMBH (DE) | 2003-01-28 | — | — | US | disclosed |
| US-6107418-A | FRICTION RESISTANT/ANTISOILANT COATINGS FOR SILICONE RUBBERS | WACKER-CHEMIE GMBH (DE) | 2000-08-22 | — | — | US | disclosed |
| US-5750581-A | Compressible silicon rubber | WACKER-CHEMIE GMBH (DE) | 1998-05-12 | — | — | US | disclosed |