SCHEMBL7738531

SCHEMBL7738531

C=C(OP(=O)(CC)OCC)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
POLB P06746 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NR1I2 O75469 1/20 0.41
MAPK1 P28482 1/20 0.40
KCNH2 Q12809 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ACHE P22303 1/20 0.38
AOX1 Q06278 1/20 0.36

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
SCHEMBL1296451 0.82 KMT2A (0.50) TSHRPOLBNPSR1MAPTALDH1A1
SCHEMBL7900085 0.77 POLB (0.44) TSHRPOLBNPSR1MAPTALDH1A1
SCHEMBL19008259 0.73 POLB (0.45) POLBNPSR1MAPTALDH1A1NR1I2
SCHEMBL7738533 0.73 NR1I2 (0.53) TSHRPOLBNPSR1MAPTALDH1A1
SCHEMBL1305579 0.71 POLB (0.59) TSHRPOLBNPSR1MAPTALDH1A1
SCHEMBL9714149 0.71 POLB (0.45) TSHRPOLBNPSR1MAPTALDH1A1
SCHEMBL3908206 0.71 SRC (0.45) TSHRPOLBALDH1A1SMN1; SMN2LMNA
SCHEMBL649963 0.70 TSHR (0.52) TSHRPOLBNPSR1KCNH2ACHE
SCHEMBL7512310 0.70 LMNA (0.44) TSHRPOLBNPSR1MAPTALDH1A1
SCHEMBL425583 0.70 NR1I2 (0.54) TSHRPOLBNPSR1MAPTALDH1A1

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-6429329-B1 PHOSPHONATION OF ALDEHYDE OR KETONE WITH HYDROCARBYL PHOSPHITE IN PRESENCE OF BASIC CATALYST TO FORM 1-HYDROXY HYDROCARBYLPHOSPHONATE; ESTERIFICATION WITH ACETIC ANHYDRIDE USING ACID CATALYST; CARBOXYLIC ACID REMOVAL AKZO NOBEL NV (NL) 2002-08-06 US disclosed
WO-1996024599-A1 SYNTHESIS OF A HYDROCARBYLVINYL PHOSPHONIC ACID HYDROCARBYL ESTER AKZO NOBEL N.V. (NL) 1996-08-15 WO disclosed
US-5116882-A Process for making copolymers of vinyl aromatic monomers and vinyl phosphonic acid derivatives and foamed articles therefrom ARCO CHEMICAL TECHNOLOGY, L.P. (US) 1992-05-26 US disclosed
US-5109033-A Vinyl aromatic monomer/vinyl phosphonate copolymer compositions and foamed articles derived therefrom ARCO CHEMICAL TECHNOLOGY, L.P. (US) 1992-04-28 US disclosed