SCHEMBL8054972

SCHEMBL8054972

C=C(OCCCC)C(OCCCC)(OCCCC)OP(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 6/20 0.40
LPAR3 Q9UBY5 5/20 0.37
LPAR1 Q92633 3/20 0.37
LPAR2 Q9HBW0 3/20 0.37
ALDH1A1 P00352 1/20 0.36
TSHR P16473 3/20 0.36
HPGD P15428 1/20 0.36
ATM Q13315 1/20 0.34
CYP3A4 P08684 1/20 0.33
HCAR2 Q8TDS4 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
SCHEMBL8054971 0.89 CYP3A4 (0.38) SMPD1LPAR3LPAR1LPAR2ALDH1A1
SCHEMBL4447305 0.73 SMPD1 (0.48) SMPD1LPAR3LPAR1LPAR2TSHR
SCHEMBL29236716 0.72 LPAR3 (0.50) SMPD1LPAR3LPAR1LPAR2
SCHEMBL127571 0.72 SMPD1 (0.47) SMPD1LPAR3LPAR1LPAR2TSHR
SCHEMBL3913186 0.68 ALDH1A1 (0.39) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL37204 0.67 SMPD1 (0.42) SMPD1LPAR3LPAR1LPAR2TSHR
SCHEMBL11525690 0.66 LPAR3 (0.55) SMPD1LPAR3LPAR1LPAR2
SCHEMBL28520717 0.66 CYP3A4 (0.38) SMPD1LPAR3LPAR1LPAR2TSHR
Phosphoric Acid SCHEMBL27986970 0.66 SMPD1 (0.41) SMPD1LPAR3LPAR1LPAR2TSHR
SCHEMBL24924894 0.65 ALDH1A1 (0.43) ALDH1A1TSHRHPGDATMHCAR2

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-6030543-A A TRIALKOXYALKYL PHOSPHATE ESTER, A TRIALKYL PHOSPHATE OR A MIXTURE THEREOF, AND A TRIALKYL PHOSPHITE ESTER HAVING A POUR POINT OF LESS THAN-50.DEGREE. C.; EXTREME TEMPERATURE LUBRICANTS; WEAR, CORROSION AND HEAT RESISTANCES; RHEOLOGY GREAT LAKES CHEMICAL CORPORATION (US) 2000-02-29 US claimed
US-20160201001-A1 ADDITIVE FOR OIL-BASED LUBRICANTS HAVING IMPROVED EXTREME PRESSURE PROPERTIES Terralub GmbH (DE) 2016-07-14 US disclosed