SCHEMBL1309388

SCHEMBL1309388

O=P(O)(OCCOc1ccccc1)OCCOc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.67
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
KCNA3 P22001 1/20 0.52
ALDH1A1 P00352 2/20 0.52
RECQL P46063 1/20 0.52
TSHR P16473 2/20 0.52
PARP10 Q53GL7 1/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
THRB P10828 1/20 0.47
HPGD P15428 1/20 0.47
MAPT P10636 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
SRC P12931 1/20 0.47
FDPS P14324 2/20 0.46
ALOX15 P16050 1/20 0.45

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
Phosphoric Acid SCHEMBL22974795 0.98 PKM (0.65) PKMCYP2C9CYP2C19KCNA3ALDH1A1
SCHEMBL18140739 0.91 PKM (0.62) PKMCYP2C9CYP2C19KCNA3ALDH1A1
SCHEMBL18141271 0.91 PKM (0.62) PKMCYP2C9CYP2C19KCNA3ALDH1A1
SCHEMBL28223074 0.91 PKM (0.61) PKMCYP2C9CYP2C19KCNA3ALDH1A1
SCHEMBL28176043 0.89 PKM (0.59) PKMCYP2C9CYP2C19KCNA3ALDH1A1
SCHEMBL18141396 0.89 PKM (0.64) PKMCYP2C9CYP2C19KCNA3ALDH1A1
SCHEMBL13624424 0.88 PKM (0.58) PKMCYP2C9CYP2C19RECQLTSHR
SCHEMBL427191 0.88 PKM (0.67) PKMCYP2C9CYP2C19KCNA3ALDH1A1
SCHEMBL18141772 0.87 LTA4H (0.57) PKMTSHRFDPS
SCHEMBL7124847 0.86 PKM (0.65) PKMCYP2C9CYP2C19KCNA3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111936577-A Polyester resin composition 三菱瓦斯化学株式会社 2020-11-13 CN disclosed
WO-2019194117-A1 POLYESTER RESIN COMPOSITION 三菱瓦斯化学株式会社 2019-10-10 WO disclosed
US-8053498-B2 Pulverulent polycondensation products CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2011-11-08 US disclosed
US-7910640-B2 dispersants, plasticizers; good liquefaction of hydraulic binding agents, e.g. cement, while pourability maintained over longer period of time as opposed to naphthalene or melamine sulfonates; significant improvement in flowability during the hydration process CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2011-03-22 US disclosed
US-20090054558-A1 Pulverulent Polycondensation Products CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2009-02-26 US disclosed
US-20080108732-A1 Polycondensation Product Base on Aromatic or Heteroaromatic Compounds, Method for the Production Thereof, and Use Thereof CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2008-05-08 US disclosed