SCHEMBL2640116

SCHEMBL2640116

C=CC1(OC(C)=O)CCCCC1CCCC

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
CYP1A2 P05177 1/20 0.31
NAAA Q02083 2/20 0.31

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
SCHEMBL29501665 0.86 NPSR1 (0.32)
SCHEMBL29501661 0.82 GAA (0.40)
SCHEMBL29501674 0.75 ALOX15 (0.34)
SCHEMBL11228682 0.74 TDP1 (0.42) TDP1CYP1A2NAAA
SCHEMBL878515 0.73
SCHEMBL29501705 0.71 HSD11B1 (0.32)
SCHEMBL28988206 0.71 EP300 (0.31)
SCHEMBL28988277 0.70 CYP1A2 (0.37) CYP1A2NAAA
SCHEMBL11226910 0.70 TDP1 (0.38) TDP1NAAA
SCHEMBL11229484 0.69 TDP1 (0.38) TDP1NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4739231-B2 2011-08-03 JP claimed
EP-1716159-A2 CYCLIC SILOXANE COMPOSITIONS FOR THE RELEASE OF ACTIVE INGREDIENTS General Electronic Company (US) 2006-11-02 EP claimed
EP-1697386-A1 ACTIVE INGREDIENT-RELEASING CYCLIC SILOXANES General Electric Company A Corporation of the State of New York (US) 2006-09-06 EP claimed
WO-2005066187-A1 ACTIVE INGREDIENT-RELEASING CYCLIC SILOXANES GENERAL ELECTRIC COMPANY (US) 2005-07-21 WO claimed
WO-2005066186-A2 CYCLIC SILOXANE COMPOSITIONS FOR THE RELEASE OF ACTIVE INGREDIENTS GENERAL ELECTRIC COMPANY (US) 2005-07-21 WO claimed
EP-1716159-A2 CYCLIC SILOXANE COMPOSITIONS FOR THE RELEASE OF ACTIVE INGREDIENTS General Electronic Company (US) 2006-11-02 EP disclosed
EP-1697386-A1 ACTIVE INGREDIENT-RELEASING CYCLIC SILOXANES General Electric Company A Corporation of the State of New York (US) 2006-09-06 EP disclosed
WO-2005066187-A1 ACTIVE INGREDIENT-RELEASING CYCLIC SILOXANES GENERAL ELECTRIC COMPANY (US) 2005-07-21 WO disclosed
WO-2005066186-A2 CYCLIC SILOXANE COMPOSITIONS FOR THE RELEASE OF ACTIVE INGREDIENTS GENERAL ELECTRIC COMPANY (US) 2005-07-21 WO disclosed