⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2567111 | 1.00 | — | — | |
| SCHEMBL3777062 | 1.00 | — | — | |
| SCHEMBL3778781 | 1.00 | — | — | |
| SCHEMBL2760845 | 1.00 | — | — | |
| SCHEMBL3777063 | 1.00 | — | — | |
| SCHEMBL2761447 | 0.98 | — | — | |
| SCHEMBL4809637 | 0.94 | — | — | |
| SCHEMBL4811706 | 0.94 | — | — | |
| SCHEMBL8832450 | 0.91 | — | — | |
| SCHEMBL4808644 | 0.91 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100324205-A1 | FLUID, FLUORINE-CONTAINING AND SINGLE-COMPONENT COMPOSITION | CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) | 2010-12-23 | — | — | US | disclosed |
| US-20090240004-A1 | FUNCTIONALIZED POLYURETHANE RESIN, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF | CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) | 2009-09-24 | — | — | US | disclosed |
| US-20090198000-A1 | Liquid fluorine-containing and two-component compositions for the surface treatment of mineral and non-mineral substrates | EVONIK DEGUSSA GMBH (DE) | 2009-08-06 | — | — | US | disclosed |
| US-4942164-A | Polyfluorinated diisocyanates and fluorinated polyurethanes prepared therefrom | FLUOROCHEM INC. (US) | 1990-07-17 | — | — | US | disclosed |