SCHEMBL3429685

SCHEMBL3429685

O=P(O)(O)OCCNCCO

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 8/20 0.39
LPAR2 Q9HBW0 7/20 0.39
LPAR1 Q92633 5/20 0.39
SAT1 P21673 1/20 0.36
TPI1 P60174 1/20 0.35
ENPP2 Q13822 1/20 0.34
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33

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
SCHEMBL17859165 0.91 LPAR3 (0.44) LPAR3LPAR2LPAR1SAT1TPI1
SCHEMBL3429975 0.87 SAT1 (0.42) LPAR3LPAR2LPAR1SAT1TPI1
SCHEMBL18501086 0.82 LPAR3 (0.43) LPAR3LPAR2LPAR1SAT1TPI1
SCHEMBL3429682 0.82 LPAR3 (0.39) LPAR3LPAR2LPAR1SAT1TPI1
Diethanolamine SCHEMBL2397565 0.81 LPAR3 (0.32) LPAR3LPAR2LPAR1SAT1
SCHEMBL6528738 0.80 LPAR3 (0.52) LPAR3LPAR2LPAR1SAT1ENPP2
SCHEMBL14782501 0.80 ANPEP (0.44) LPAR3LPAR2LPAR1SAT1ENPP2
Hexadecyl Dihydrogen Phosphate SCHEMBL63165 0.79 LPAR3 (0.72) LPAR3LPAR2LPAR1ENPP2
Phosphoric Acid Monododecyl Ester SCHEMBL1882508 0.79 LPAR3 (0.72) LPAR3LPAR2LPAR1ENPP2
Diethanolamine SCHEMBL11424123 0.79 LPAR3 (0.72) LPAR3LPAR2LPAR1ENPP2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106281611-A A kind of stable non-ferrous metal cutting fluid 洛阳名力科技开发有限公司 2017-01-04 CN disclosed
CN-106281611-A A kind of stable non-ferrous metal cutting fluid 洛阳名力科技开发有限公司 2017-01-04 CN disclosed
US-20160176759-A1 POLY(ETHYLENE GLYCOL) GEMINAL ESTER PHOSPHATE, USE AS ADDITIVE IN HYDRAULIC COMPOSITIONS AND COMPOSITIONS CONTAINING SAME COATEX (FR) 2016-06-23 US disclosed
CN-104195581-A Ferrous metal derusting liquid WUXI YANGGONG MACHINERY MFG CO 2014-12-10 CN disclosed
CN-103602391-A Novel extreme pressure-resistant cutting fluid QINGDAO HIBOUND PLASTIC INDUSTRY & TRADE CO LTD 2014-02-26 CN disclosed
CN-101808615-B Mixtures comprising benzotriazoles and merocyanines BASF SE 2013-05-15 CN disclosed
CN-101808615-A mixtures comprising benzotriazoles and merocyanines BASF SE 2010-08-18 CN disclosed
US-7691867-B2 Chemical compounds ASTRAZENECA AB (SE) 2010-04-06 US disclosed
CN-101686921-A crystal forms of transmission dyes BASF SE 2010-03-31 CN disclosed
EP-1613619-B1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-03-26 EP disclosed
CN-1738592-A Triazine derivatives as UV absorbers CIBA SC HOLDING AG (CH) 2006-02-22 CN disclosed
EP-1613619-A1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER AstraZeneca AB (SE) 2006-01-11 EP disclosed
EP-1316315-A4 MEDICINAL COMPOSITIONS AWAYA AKIRA (JP) 2005-06-08 EP disclosed
WO-2004094410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-11-04 WO disclosed
WO-2002017965-A1 MEDICINAL COMPOSITIONS AWAYA AKIRA (JP) 2002-03-07 WO disclosed
US-4927861-A POLYETHERESTERURETHANE COPOLYMER; REPLACE METAL PARTS IN HOME APPLIANCES BRASTEMP S/A (BR) 1990-05-22 US disclosed
EP-0018084-B1 METHOD FOR REMOVING PARTICLES FROM PARTICLE-LADEN GAS STREAM BETZ EUROPE, INC. (US) 1983-04-13 EP disclosed
US-4239504-A Free base amino alcohols as electrostatic precipitator efficiency enhancers BETZ LABORATORIES, INC. (US) 1980-12-16 US disclosed
EP-0018084-A1 Method for removing particles from particle-laden gas stream BETZ EUROPE, INC. (US) 1980-10-29 EP disclosed
US-4120655-A COMPLEX OF A GROUP 2-8 METAL AND A CARBOXYLIC ACID AND A PHOSPHORIC ESTER OF AN ALKANOLAMINE SOCIETE NATIONALE ELF AQUITAINE (FR) 1978-10-17 US disclosed