SCHEMBL7738533

SCHEMBL7738533

C=C(c1ccccc1)P(=O)(OCC)OCC

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.53
POLB P06746 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 4/20 0.45
MAPT P10636 1/20 0.45
KCNH2 Q12809 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ACHE P22303 1/20 0.42
LMNA P02545 2/20 0.40
TSHR P16473 1/20 0.40
AOX1 Q06278 1/20 0.39

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
SCHEMBL11312196 0.89 NR1I2 (0.48) NR1I2POLBNPSR1ALDH1A1MAPT
SCHEMBL9714149 0.84 POLB (0.45) NR1I2POLBNPSR1ALDH1A1MAPT
SCHEMBL425583 0.79 NR1I2 (0.54) NR1I2POLBNPSR1ALDH1A1MAPT
SCHEMBL9300787 0.79 ALDH1A1 (0.41) NR1I2POLBALDH1A1SMN1; SMN2KMT2A
SCHEMBL11318778 0.79 SMN1; SMN2 (0.41) NR1I2POLBALDH1A1MAPTSMN1; SMN2
SCHEMBL9300378 0.79 LMNA (0.47) POLBNPSR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL13522913 0.78 ALDH1A1 (0.51) NR1I2POLBNPSR1ALDH1A1MAPT
SCHEMBL16868493 0.77 NPSR1 (0.58) NR1I2POLBNPSR1ALDH1A1MAPT
SCHEMBL11312216 0.77 ALDH1A1 (0.47) NR1I2POLBALDH1A1MAPTSMN1; SMN2
SCHEMBL7900085 0.75 POLB (0.44) NR1I2POLBNPSR1ALDH1A1MAPT

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-4246103-A INHIBIT PRECIPITATION OF HARD WATER IONS ESPECIALLY FOR INDUSTRIAL WATER AND SLUDGE BAYER AKTIENGESELLSCHAFT (DE) 1981-01-20 US disclosed
US-4071610-A TREATMENT WITH PHOSPHONATE, PHOSPHATE, OR PHOSPHORAMIDE, HYDROGENATION, OXIDATION BASF AKTIENGESELLSCHAFT (DT) 1978-01-31 US disclosed