Methane

Methane

SCHEMBL4526739

C.C=CCC[SiH2]C1CCCCO1

nearest known ligand 0.00

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⚠ 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL3659934 0.98
SCHEMBL4160830 0.86
SCHEMBL2478323 0.79
SCHEMBL2160301 0.78
SCHEMBL15524359 0.77 ALDH1A1 (0.36)
SCHEMBL16280433 0.75
SCHEMBL247603 0.73
SCHEMBL513814 0.73
SCHEMBL5016055 0.73
SCHEMBL16280362 0.73

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2799495-A1 Silicone oil-in-water (o/w) emulsions or compositions useful for water repellent applications Dow Corning Corporation (US) 2014-11-05 EP disclosed
EP-1660584-B1 SILICONE OIL-IN-WATER (O/W) EMULSIONS OR COMPOSITIONS USEFUL FOR WATER REPELLENT APPLICATIONS DOW CORNING (US) 2014-05-21 EP disclosed
US-7544734-B2 a methylhydrogensiloxane and a silanol endblocked siloxane and a silicone resin and a nonionic surfactant; topical coating for cellulosic surfaces such as wood, paper or masonry or siliceous minerals or concrete; additive in a paper slurry, or an ingredient in a concrete mix DOW CORNING CORPORATION (US) 2009-06-09 US disclosed
US-20070088122-A1 a methylhydrogensiloxane and a silanol endblocked siloxane and a silicone resin and a nonionic surfactant; topical coating for cellulosic surfaces such as wood, paper or masonry or siliceous minerals or concrete; additive in a paper slurry, or an ingredient in a concrete mix DOW CORNING CORPORATION 2007-04-19 US disclosed
EP-1660584-A1 SILICONE OIL-IN-WATER (O/W) EMULSIONS OR COMPOSITIONS USEFUL FOR WATER REPELLENT APPLICATIONS Dow Corning Corporation (US) 2006-05-31 EP disclosed
WO-2005023935-A1 SILICONE OIL-IN-WATER (O/W) EMULSIONS OR COMPOSITIONS USEFUL FOR WATER REPELLENT APPLICATIONS DOW CORNING CORPORATION (US) 2005-03-17 WO disclosed
US-6403163-B1 APPLYING A MIXTURE OF WATER, A METHYLHYDROGENSILOXANE (CO)POLYMER, AN ALKOXYSILANE, A SILICONE RESIN AND A VOLATILE METHYL SILOXANE OR A CATIONIC OIL-IN-WATER EMULSION OF AN AMINOFUNCTIONAL POLYDIMETHYLSILOXANE TO MINERAL SUBSTRATES CHEMREX, INC. 2002-06-11 US disclosed
US-6323268-B1 FOR APPLYING TO SURFACE OF MINERAL SUBSTRATES SUCH AS BRICK, CURED CONCRETE, SEWER PIPE, HOLLOW BLOCK, CURED MORTAR, STUCCO, DECORATIVE STONE, ROOFING TILE, AND HIGHWAY SURFACES, BRIDGES, STONE USED IN CONSTRUCTION INDUSTRY DOW CORNING CORPORATION 2001-11-27 US disclosed