SCHEMBL4582470

SCHEMBL4582470

CCCCCCCC(O)(OC)OC

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.55
FDPS P14324 9/20 0.45
GGPS1 O95749 7/20 0.45
TSHR P16473 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL7523594 1.00 SMPD1 (0.55) SMPD1FDPSGGPS1TSHRTHRB
SCHEMBL9775043 0.97 SMPD1 (0.52) SMPD1FDPSGGPS1
SCHEMBL5463065 0.90 SMPD1 (0.43) SMPD1FDPSGGPS1TSHR
SCHEMBL10592604 0.85 HTT (0.50) SMPD1TSHRTHRB
SCHEMBL10593426 0.85 HTT (0.50) SMPD1TSHRTHRB
SCHEMBL5474141 0.81
SCHEMBL27714683 0.80 SMPD1 (0.45) SMPD1FDPSGGPS1TSHRTHRB
SCHEMBL30765031 0.80 SMPD1 (0.45) SMPD1FDPSGGPS1TSHRTHRB
SCHEMBL5159203 0.77 FDPS (0.43) SMPD1FDPSGGPS1
SCHEMBL19390709 0.74 TSHR (0.44) SMPD1FDPSGGPS1TSHRTHRB

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
US-20080032913-A1 Masking of mineral oil odor and fragrancing of mineral oils SYMRISE GMBH & CO. KG (DE) 2008-02-07 US claimed
EP-1884555-A2 Masking mineral oil smell and scenting of mineral oils Symrise GmbH & Co. KG (DE) 2008-02-06 EP claimed