SCHEMBL5184205

SCHEMBL5184205

C=CCC(C)(CCCCC)OO

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
ALDH1A1 P00352 1/20 0.33
SMPD1 P17405 3/20 0.31
GGPS1 O95749 2/20 0.31
FDPS P14324 1/20 0.31
FAAH O00519 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
SCHEMBL21180035 0.79 GGPS1 (0.41) TSHRSMPD1GGPS1FDPS
SCHEMBL17060726 0.78 TSHR (0.39) TSHRSMPD1FDPSFAAH
SCHEMBL8657357 0.76 LPAR3 (0.40) SMPD1GGPS1FDPS
SCHEMBL21625685 0.75 TSHR (0.41) TSHRALDH1A1SMPD1GGPS1FDPS
SCHEMBL8026010 0.74 TSHR (0.36) TSHRALDH1A1SMPD1GGPS1FDPS
SCHEMBL3774446 0.73 TSHR (0.42) TSHRALDH1A1GGPS1FDPSFAAH
SCHEMBL13384231 0.72 TSHR (0.38) TSHRALDH1A1SMPD1GGPS1FDPS
SCHEMBL10787368 0.72 TSHR (0.32) TSHRALDH1A1
SCHEMBL14338183 0.72 TSHR (0.31) TSHR
SCHEMBL9445608 0.71 TSHR (0.46) TSHRALDH1A1SMPD1GGPS1FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343933-B1 SILOXANE DRY CLEANING COMPOSITION AND PROCESS GEN ELECTRIC (US) 2007-05-16 EP disclosed
US-6548465-B2 Volatile siloxane, an aminofunctional siloxane and water or acid GENERAL ELECTRIC COMPANY 2003-04-15 US disclosed