⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10798485 | 0.82 | — | — | |
| SCHEMBL1635149 | 0.81 | — | — | |
| SCHEMBL662596 | 0.78 | — | — | |
| SCHEMBL12814535 | 0.77 | ALDH1A1 (0.34) | — | |
| SCHEMBL11552215 | 0.77 | — | — | |
| SCHEMBL28715426 | 0.76 | — | — | |
| SCHEMBL12878731 | 0.75 | — | — | |
| SCHEMBL6298767 | 0.75 | — | — | |
| SCHEMBL359200 | 0.75 | — | — | |
| SCHEMBL2404033 | 0.74 | TAAR1 (0.39) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101386678-B | Method for preparing organosilicon emulsion containing elastomer polysiloxane with quaternary ammonium radical | DOW CORNING SHANGHAI CO LTD | 2013-03-13 | — | — | CN | disclosed |
| EP-1075864-B1 | Silicone foam control agent | DOW CORNING SA (BE) | 2005-01-05 | — | — | EP | disclosed |
| US-6521586-B1 | Polysiloxane partially substituted with phenyl groups attached through an alkyl chain; efficient; aqueous detergents | DOW CORNING S.A. (BE) | 2003-02-18 | — | — | US | disclosed |
| EP-1075864-A2 | Silicone foam control agent | DOW CORNING S.A. (BE) | 2001-02-14 | — | — | EP | disclosed |
| EP-0174097-A1 | Hair setting method using aminoalkyl substituted polydiorganosiloxane | DOW CORNING CORPORATION (US) | 1986-03-12 | — | — | EP | disclosed |
| US-4022747-A | DIORGANO-POLY-SILOXANE, ORGANO-POLY-SILOXANE, SILICA FILLER, ORGANIC PEROXIDE | SHIN-ETSU CHEMICAL COMPANY LIMITED (JA) | 1977-05-10 | — | — | US | disclosed |