SCHEMBL3268667

SCHEMBL3268667

CCCCCCCCCCCCCCCCO[Si]1(C)CCCCO1.C[Si]1(C)CCCCO1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SPHK2 Q9NRA0 1/20 0.30
SPHK1 Q9NYA1 1/20 0.30
EPHX1 P07099 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL14699481 0.93 ALDH1A1 (0.34) ALDH1A1TDP1
Heptane SCHEMBL28498778 0.84 TSHR (0.36) ALDH1A1TDP1SPHK2SPHK1EPHX1
SCHEMBL27603050 0.84 TSHR (0.36) ALDH1A1TDP1SPHK2SPHK1EPHX1
SCHEMBL21679573 0.83
Hexane SCHEMBL29140428 0.82 TSHR (0.32) EPHX1
SCHEMBL3268673 0.80
Dimethylamine SCHEMBL7577153 0.78
SCHEMBL2363205 0.75
Butane SCHEMBL28466965 0.74
SCHEMBL27845055 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1427378-B1 UNDERARM COMPOSITIONS CONTAINING ALPHA,OMEGA-DIENE CROSSLINKED SILICONE ELASTOMERS AND SILICONE RUBBER POWDERS DOW CORNING (US) 2010-06-16 EP disclosed
EP-1427378-A1 UNDERARM COMPOSITIONS CONTAINING ALPHA,OMEGA-DIENE CROSSLINKED SILICONE ELASTOMERS AND SILICONE RUBBER POWDERS Dow Corning Corporation (US) 2004-06-16 EP disclosed
WO-2003022241-A1 UNDERARM COMPOSITIONS CONTAINING Α,Ω-DIENE CROSSLINKED SILICONE ELASTOMERS AND SILICONE RUBBER POWDERS DOW CORNING CORPORATION (US) 2003-03-20 WO disclosed
US-6406684-B1 COMPOSITION FOR ANTIPERSPIRANT OR DEODORANT, VEHICLE, EMOLLIENT AND SILICONE DOW CORNING CORPORATION 2002-06-18 US disclosed
US-5628989-A CONTAINING SPHERICAL SILICONE RUBBER POWDER WITH SPECIFIED PARTICLE SIZE AND HARDNESS; SPREAD WELL, SMOOTH, DRY FEEL DOW CORNING TORAY SILICONE CO., LTD. (JP) 1997-05-13 US disclosed