SCHEMBL8203941

SCHEMBL8203941

CCCCCCCCCCCCCCC(CS)(CS)CCCCCCCCCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
THRB P10828 1/20 0.44
GGPS1 O95749 6/20 0.39
FDPS P14324 9/20 0.38
SMPD1 P17405 2/20 0.37
CES2 O00748 1/20 0.37
LPAR1 Q92633 1/20 0.37
LPAR3 Q9UBY5 1/20 0.37

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
SCHEMBL3416568 1.00 TSHR (0.44) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL14150218 0.92 TSHR (0.39) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL1110046 0.90 TSHR (0.40) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL10935422 0.86 TSHR (0.35) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL28995684 0.82 TSHR (0.35) TSHRTHRBFDPS
SCHEMBL19231156 0.82 TSHR (0.35) TSHRTHRBFDPS
SCHEMBL8686237 0.82 TSHR (0.57) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL10519632 0.82 TSHR (0.57) TSHRTHRBGGPS1FDPSSMPD1
Tridecane SCHEMBL8588770 0.82 TSHR (0.57) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL8685336 0.82 TSHR (0.57) TSHRTHRBGGPS1FDPSSMPD1

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-6153322-A Methods for making fluorinated surface modifying agents, methods of using same and products made using same HOUSTON, UNIVERSITY OF 2000-11-28 US disclosed
WO-1998040169-A1 METHODS FOR MAKING FLUORINATED SURFACE MODIFYING AGENTS, METHODS OF USING SAME AND PRODUCTS MADE USING SAME THE UNIVERSITY OF HOUSTON (US) 1998-09-17 WO disclosed