SCHEMBL27343045

SCHEMBL27343045

C=COP(=O)(OCCCl)OP(=O)(O)O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
BTN3A1 O00481 3/20 0.36
LPAR2 Q9HBW0 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33
FDPS P14324 1/20 0.31
BLM P54132 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
FNTA P49354 2/20 0.30
FNTB P49356 2/20 0.30
PGGT1B P53609 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
SCHEMBL5537080 0.85 ALDH1A1 (0.61) ALDH1A1
SCHEMBL28726921 0.84 ALDH1A1 (0.50) ALDH1A1BTN3A1LPAR2LPAR3
SCHEMBL2688807 0.82 ALDH1A1 (0.64) ALDH1A1BTN3A1LPAR2LPAR3FDPS
SCHEMBL11474867 0.81 ALDH1A1 (0.61) ALDH1A1BTN3A1LPAR2LPAR3FDPS
SCHEMBL27938811 0.79 LPAR3 (0.44) ALDH1A1LPAR2LPAR3
SCHEMBL21062134 0.78 FDPS (0.45) BTN3A1LPAR2LPAR3FDPSBLM
SCHEMBL11066862 0.78 FDPS (0.45) BTN3A1LPAR2LPAR3FDPSBLM
SCHEMBL27476830 0.77 ALDH1A1 (0.44) ALDH1A1BTN3A1LPAR2LPAR3
Phosphoric Acid SCHEMBL6229840 0.71 ALDH1A1 (0.83) ALDH1A1LPAR2LPAR3
Ethylene SCHEMBL6675581 0.71 BTN3A1 (0.55) ALDH1A1BTN3A1FDPSBLMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103608376-B Prepare the method for rigid polyurethane foam BASF SE (DE) 2015-09-09 CN disclosed
CN-102369243-B Biobased polymer compositions INTERFACE SOLUTIONS IP LTD 2014-11-05 CN disclosed
CN-103608376-A Process for producing rigid polyurethane foams BASF SE 2014-02-26 CN disclosed
CN-103502361-A Biobased polymer compositions INTERFACIAL SOLUTIONS IP LLC 2014-01-08 CN disclosed
CN-101796136-B Resin composition and molded body using the same UNITIKA LTD 2012-09-26 CN disclosed
CN-102369243-A Biobased polymer compositions INTERFACE SOLUTIONS IP LTD 2012-03-07 CN disclosed
CN-101796136-A Resin composition and molded body using the same UNITIKA LTD 2010-08-04 CN disclosed
CN-100413903-C Composition for flame-retardant flexible polyurethane foam DAIHACHI CHEM IND (JP) 2008-08-27 CN disclosed
CN-1708525-A Composition for flame-retarding flexible polyurethane foam DAIHACHI CHEM IND (JP) 2005-12-14 CN disclosed
CN-1061660-C Process for preparing tribromoneopentyl chloroalkyl phosphates DAIHACHI CHEM IND (JP) 2001-02-07 CN disclosed
CN-1138584-A Process for preparing tribromoneopentyl chloroalkyl phosphates DAIHACHI CHEM IND (JP) 1996-12-25 CN disclosed