⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL219479 | 0.93 | — | — | |
| SCHEMBL8588077 | 0.79 | OPRM1 (0.37) | — | |
| SCHEMBL17387530 | 0.78 | — | — | |
| Ammonia Solution, Strong SCHEMBL17223654 | 0.77 | OPRM1 (0.36) | — | |
| SCHEMBL4594698 | 0.77 | OPRM1 (0.46) | — | |
| SCHEMBL2991866 | 0.76 | OPRM1 (0.44) | — | |
| SCHEMBL2499317 | 0.76 | OPRM1 (0.44) | — | |
| SCHEMBL30582541 | 0.76 | — | — | |
| SCHEMBL12804734 | 0.76 | OPRM1 (0.44) | — | |
| SCHEMBL1568831 | 0.76 | OPRM1 (0.44) | — |
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-8138277-B2 | Thixotropic agent with improved light stability and viscosity stability; made by reacting diisocyanates with aminosilanes, hydroxysilanes, or mercaptosilanes; for one or two-component adhesives and sealants, paint, lacquers, and coatings while causing no increase in viscosity, nondiscoloring | CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) | 2012-03-20 | — | — | US | disclosed |
| US-20080125529-A1 | Silane-Modified Urea Derivatives, Method for the Production Thereof, and Use Thereof as Auxiliary Rheological Agents | CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) | 2008-05-29 | — | — | US | disclosed |