SCHEMBL9850241

SCHEMBL9850241

CCCCCC(C)(C)OOC(C)(C)CC

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
THRB P10828 1/20 0.33
SMPD1 P17405 3/20 0.32
FDPS P14324 11/20 0.32
GGPS1 O95749 7/20 0.32
CES2 O00748 1/20 0.30
LPAR1 Q92633 1/20 0.30
LPAR3 Q9UBY5 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
SCHEMBL297925 0.92 TSHR (0.39) TSHRTHRBSMPD1FDPSGGPS1
SCHEMBL9576868 0.90 TSHR (0.44) TSHRTHRBSMPD1FDPSGGPS1
SCHEMBL7445172 0.90 TSHR (0.44) TSHRTHRBSMPD1FDPSGGPS1
SCHEMBL9625652 0.90 TSHR (0.37) TSHRTHRBSMPD1FDPSGGPS1
SCHEMBL11855953 0.86 SMPD1 (0.31) TSHRTHRBSMPD1FDPSGGPS1
SCHEMBL9625884 0.86 TSHR (0.36) TSHRALDH1A1TDP1THRBSMPD1
SCHEMBL9625386 0.86 TSHR (0.41) TSHRTHRBSMPD1FDPSGGPS1
SCHEMBL9625864 0.85 TSHR (0.33) TSHRTHRBSMPD1FDPSGGPS1
SCHEMBL8901964 0.85 TSHR (0.40) TSHRTDP1THRBSMPD1FDPS
SCHEMBL8039291 0.84 TSHR (0.35) TSHRALDH1A1TDP1THRBFDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0444604-A2 Crosslinking of fluorrubber via crosslinking initiators not forming any methyl- or phenyl-radicals Elf Atochem Deutschland GmbH (DE) 1991-09-04 EP disclosed