SCHEMBL7216980

SCHEMBL7216980

O=P(OCC(O)CCl)(OCC(O)CCl)OCC(O)CCl

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 1/20 0.36
CYP3A4 P08684 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PGK1 P00558 1/20 0.32
PGK2 P07205 1/20 0.32
TSHR P16473 1/20 0.32
LPAR5 Q9H1C0 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
MPI P34949 1/20 0.30
PGD P52209 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
SCHEMBL27759275 0.87 LMNA (0.33) ALDH1A1CA1CA2CA9CYP3A4
SCHEMBL26363375 0.83 PGK1 (0.35) CA1CA2CA9PGK1PGK2
SCHEMBL5851934 0.83 PGK1 (0.50) PGK1PGK2LPAR5MPIPGD
SCHEMBL9803786 0.81 SMN1; SMN2 (0.36) CA1CA2CA9PGK1PGK2
SCHEMBL9803781 0.81 PGK1 (0.48) PGK1PGK2LPAR5MPIPGD
Ammonia Solution, Strong SCHEMBL28639834 0.81 PGK1 (0.48) PGK1PGK2LPAR5MPIPGD
SCHEMBL32663520 0.79 SMN1; SMN2 (0.46) CA1CA2CA9SMN1; SMN2
SCHEMBL28391767 0.78 SMN1; SMN2 (0.34) CA1CA2CA9PGK1PGK2
SCHEMBL2918083 0.77 SMN1; SMN2 (0.47) ALDH1A1CYP3A4L3MBTL1PGK1PGK2
SCHEMBL11037275 0.76 BTN3A1 (0.40) PGK1PGK2LPAR5MPIPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111153933-B Bactericide for polymer-containing sewage in oil field and preparation method thereof 中国石油化工股份有限公司 2022-08-02 CN claimed
US-6620794-B1 Class of compounds having specific quaternized amine based upon a guerbet amido amine linked to specific phosphate esters. Guerbet acids are a specific group of branched acids that have no unsaturation present in the group, but liquid COLONIAL CHEMICAL INC. 2003-09-16 US disclosed
US-6451775-B1 Castor amidopropyl dimethyl phospholipids as emulsifiers COLONIAL CHEMICAL INC. 2002-09-17 US disclosed
US-6331293-B1 PROTECTING SKIN FROM THE NEGATIVE EFFECTS OF CHEMICALS AND ENVIRONMENT COLONIAL CHEMICAL INC 2001-12-18 US disclosed
US-4736051-A REACTING MONOALKALI SALT OF ORGANOPHOSPHORIC MONOESTER WITH EPOXY COMPOUND KAO CORPORATION (JP) 1988-04-05 US disclosed
EP-0013713-B1 PHOSPHORUS CONTAINING SURFACE ACTIVE AGENTS AND THEIR PREPARATION Mona Industries (US) 1984-04-11 EP disclosed
US-4283542-A BY REACTING PHOSPHATE ESTER WITH AN AMINE TO PRODUCE AN AMPHOTERIC SURFACTANT MONA INDUSTRIES (US) 1981-08-11 US disclosed
EP-0013713-A1 Phosphorus containing surface active agents and their preparation Mona Industries (US) 1980-08-06 EP disclosed