SCHEMBL27596997

SCHEMBL27596997

C=CC(=O)OP(=O)(CCC)OC

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.40
HPGD P15428 1/20 0.40
THRB P10828 3/20 0.34
ALDH1A1 P00352 4/20 0.31
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 1/20 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
SCHEMBL28770213 0.89 TSHR (0.46) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL27995196 0.86 TSHR (0.43) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL27692878 0.86 TSHR (0.43) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL27692877 0.86 TSHR (0.43) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL27826211 0.86 TSHR (0.43) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL27994977 0.86 TSHR (0.43) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL28104012 0.86 TSHR (0.43) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL27520150 0.85 TSHR (0.38) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL27776361 0.77 TSHR (0.42) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL29028281 0.76 ADRA1A (0.38) TSHRHPGD

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
CN-100510037-C Friction regulator for lubricating oil and lubricating oil composition SANYO CHEMICAL IND LTD (JP) 2009-07-08 CN disclosed
CN-1643119-A Friction modifier for lubricating oil and lubricating oil composition SANYO CHEMICAL IND LTD (JP) 2005-07-20 CN disclosed