SCHEMBL9876628

SCHEMBL9876628

C=C(C)C(=O)OC(CC(C)C)CC(C)CC(C)C

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
ALDH1A1 P00352 2/20 0.35
CTSK P43235 1/20 0.33
THRB P10828 1/20 0.32

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
SCHEMBL31435672 0.92 TSHR (0.52) TSHRALDH1A1CTSKTHRB
SCHEMBL22230950 0.83 TSHR (0.47) TSHRALDH1A1CTSKTHRB
SCHEMBL14088285 0.81 TSHR (0.42) TSHRALDH1A1CTSKTHRB
SCHEMBL17506168 0.80 TSHR (0.44) TSHRALDH1A1CTSKTHRB
SCHEMBL6669934 0.80 TSHR (0.44) TSHRALDH1A1CTSKTHRB
SCHEMBL92855 0.80 TSHR (0.41) TSHRALDH1A1CTSK
SCHEMBL92854 0.79 TSHR (0.43) TSHRALDH1A1CTSKTHRB
SCHEMBL2013862 0.78 TSHR (0.54) TSHRALDH1A1THRB
SCHEMBL11709703 0.78 CTSK (0.37) ALDH1A1CTSK
SCHEMBL23494299 0.78 TSHR (0.41) TSHRALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4997580-A Use of organic fluorochemical compounds with oleophobic and hydrophobic groups in crude oils as antideposition agents, and compositions thereof CIBA-GEIGY CORPORATION (US) 1991-03-05 US disclosed
US-4876018-A Use of organic fluorochemical compounds with oleophobic and hydrophobic groups in asphaltenic crude oils as viscosity reducing agents CIBA-GEIGY CORPORATION (US) 1989-10-24 US disclosed
US-4769160-A Use of organic fluorochemical compounds with oleophobic and hydrophobic groups in asphaltenic crude oils as viscosity reducing agents CIBA-GEIGY CORPORATION (US) 1988-09-06 US disclosed
US-4767545-A FOR PARAFFIN WAX AND ASPHALTENE CONTAMINANTS CIBA-GEIGY CORPORATION (US) 1988-08-30 US disclosed