SCHEMBL7794511

SCHEMBL7794511

C=CCOc1ccccc1C(=O)O.[AlH3]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIG1 P18858 1/20 0.67
TSHR P16473 4/20 0.60
GAA P10253 1/20 0.60
ALDH1A1 P00352 6/20 0.57
KMT2A Q03164 2/20 0.57
PTK2B Q14289 1/20 0.57
KDM4E B2RXH2 6/20 0.56
HTT P42858 2/20 0.56
CYP3A4 P08684 1/20 0.51
HSD17B10 Q99714 6/20 0.50
HPGD P15428 5/20 0.50
MAPT P10636 1/20 0.50
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
ADRB3 P13945 1/20 0.49
MAPK1 P28482 1/20 0.49
ESR1 P03372 1/20 0.47
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
HMGB1 P09429 1/20 0.47

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
SCHEMBL29519569 0.98 LIG1 (0.69) LIG1TSHRGAAALDH1A1KMT2A
SCHEMBL40310 0.98 LIG1 (0.69) LIG1TSHRGAAALDH1A1KMT2A
SCHEMBL2788250 0.97 LIG1 (0.67) LIG1TSHRGAAALDH1A1KMT2A
SCHEMBL8066010 0.97 LIG1 (0.67) LIG1TSHRGAAALDH1A1KMT2A
SCHEMBL28253072 0.97 LIG1 (0.67) LIG1TSHRGAAALDH1A1KMT2A
Hydrochloric Acid SCHEMBL7221224 0.97 LIG1 (0.67) LIG1TSHRGAAALDH1A1KMT2A
Hydroquinone SCHEMBL8923903 0.92 LIG1 (0.61) LIG1TSHRGAAALDH1A1KMT2A
Acetic Acid SCHEMBL28195889 0.92 LIG1 (0.61) LIG1TSHRGAAALDH1A1KMT2A
SCHEMBL9696302 0.86 LIG1 (0.71) LIG1TSHRGAAALDH1A1KMT2A
SCHEMBL22799636 0.84 ALDH1A1 (0.73) LIG1TSHRGAAALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0670525-B1 Liquid developer compositions XEROX CORP (US) 2001-11-28 EP claimed
US-5563015-A CONTAINING MONO OR DI PHOSPHORIC ESTER MIXTURE XEROX CORPORATION (US) 1996-10-08 US claimed
US-5525448-A POSITIVELY CHARGED MIXTURE OF NONPOLAR LIQUID, THERMOPLASTIC RESIN PARTICLE, PIGMENT, CHARGE CONTROL COMPOUND AND INSOLUBLE QUATERNARY CHARGE ADJUVANT; ANTISOILANTS; QUALITY; XEROGRAPHY XEROX CORPORATION (US) 1996-06-11 US claimed
US-5478688-A Liquid developer compositions with charge adjuvants of a copolymer of an alky acrylamidoglycolate alkyl ether and an alkenylester XEROX CORPORATION (US) 1995-12-26 US claimed
EP-0670525-A1 Liquid developer compositions XEROX CORPORATION (US) 1995-09-06 EP claimed
US-5409796-A Modified copolymer of ethylene and methacrylic acid ester as charge adjuvant XEROX CORPORATION (US) 1995-04-25 US claimed
CN-102314105-A Developing agent for printer ZHUHAI TONER TROR USA OG ASIA LTD 2012-01-11 CN disclosed