Benzylic Acid

Benzylic Acid

SCHEMBL1680669

O=C(O)C(O)(c1ccccc1)c1ccccc1.[Zn]

nearest known ligand 0.71

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.71
CYP2D6 P10635 2/20 0.54
HIF1A Q16665 2/20 0.54
CYP1A2 P05177 2/20 0.52
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
HTT P42858 3/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
ALDH1A1 P00352 3/20 0.42
TSHR P16473 1/20 0.42
KCNN4 O15554 1/20 0.41
CYP2C19 P33261 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41

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
Benzylic Acid SCHEMBL7066 0.97 CYP2C9 (0.74) CYP2C9CYP2D6HIF1ACYP1A2KEAP1
Benzylic Acid SCHEMBL1681667 0.95 CYP2C9 (0.71) CYP2C9CYP2D6HIF1ACYP1A2KEAP1
Benzylic Acid SCHEMBL868225 0.95 CYP2C9 (0.71) CYP2C9CYP2D6HIF1ACYP1A2KEAP1
Benzylic Acid SCHEMBL2810363 0.95 CYP2C9 (0.71) CYP2C9CYP2D6HIF1ACYP1A2KEAP1
Benzylic Acid SCHEMBL11049826 0.95 CYP2C9 (0.71) CYP2C9CYP2D6HIF1ACYP1A2KEAP1
Benzylic Acid SCHEMBL9568239 0.95 CYP2C9 (0.71) CYP2C9CYP2D6HIF1ACYP1A2KEAP1
Benzylic Acid SCHEMBL9181980 0.95 CYP2C9 (0.71) CYP2C9CYP2D6HIF1ACYP1A2KEAP1
Benzylic Acid SCHEMBL5705762 0.95 CYP2C9 (0.71) CYP2C9CYP2D6HIF1ACYP1A2KEAP1
Benzylic Acid SCHEMBL20957595 0.95 CYP2C9 (0.71) CYP2C9CYP2D6HIF1ACYP1A2KEAP1
Benzylic Acid SCHEMBL9181231 0.95 CYP2C9 (0.71) CYP2C9CYP2D6HIF1ACYP1A2KEAP1

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
EP-2488579-B1 THERMOPLASTIC POLYMER COMPOSITION MILLIKEN & CO (US) 2017-05-03 EP disclosed
CN-102575059-B Thermoplastic polymer composition MILLIKEN & CO. (US) 2014-10-01 CN disclosed
US-8779045-B2 Thermoplastic polymer composition MILLIKEN & COMPANY (US) 2014-07-15 US disclosed
EP-2488579-A1 THERMOPLASTIC POLYMER COMPOSITION Milliken & Company (US) 2012-08-22 EP disclosed
CN-102575059-A Thermoplastic polymer composition MILLIKEN & CO 2012-07-11 CN disclosed
US-20110105664-A1 THERMOPLASTIC POLYMER COMPOSITION MILLIKEN & COMPANY 2011-05-05 US disclosed
WO-2011047108-A1 THERMOPLASTIC POLYMER COMPOSITION MILLIKEN & COMPANY (US) 2011-04-21 WO disclosed
US-5463086-A Dissolving a crude lactide in a weak and strong solvent mixture then recrystallizing DAINIPPON INK AND CHEMICALS, INC. (JP) 1995-10-31 US disclosed