⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL404105 | 0.73 | — | — | |
| SCHEMBL2930698 | 0.73 | — | — | |
| SCHEMBL4136727 | 0.69 | — | — | |
| SCHEMBL23587002 | 0.67 | — | — | |
| SCHEMBL3176034 | 0.67 | — | — | |
| SCHEMBL6154815 | 0.67 | — | — | |
| SCHEMBL6033539 | 0.67 | — | — | |
| SCHEMBL1938866 | 0.67 | — | — | |
| SCHEMBL6723804 | 0.67 | — | — | |
| SCHEMBL8909857 | 0.67 | — | — |
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-20100215604-A1 | Cosmetic Compositions with Chitosan and Silicone Elastomers | HENKEL AG & CO. KGAA (DE) | 2010-08-26 | — | — | US | disclosed |
| EP-1083157-B1 | Composition for hydrophobing gypsum and methods for the preparation and use thereof | DOW CORNING (US) | 2010-02-17 | — | — | EP | disclosed |
| EP-1083157-A2 | Composition for hydrophobing gypsum and methods for the preparation and use thereof | DOW CORNING CORPORATION (US) | 2001-03-14 | — | — | EP | disclosed |
| US-6106607-A | BLENDING OF ORGANOHYDROGENSILOXANE AND POLYVINYL ALCOHOL WITH AN AMINO COMPOUND | DOW CORNING CORPORATION (US) | 2000-08-22 | — | — | US | disclosed |