SCHEMBL4455795

SCHEMBL4455795

C=Cc1cc(C)cc(Oc2cc(C)cc(C=C)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
TP53 P04637 1/20 0.45
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
TRPA1 O75762 1/20 0.31
PTPN1 P18031 1/20 0.30
CYP1A1 P04798 1/20 0.30
CYP1B1 Q16678 1/20 0.30

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
SCHEMBL20714792 0.89 TP53 (0.46) TDP1TP53ALDH1A1SMN1; SMN2TSHR
SCHEMBL31618743 0.84 CYP1A1 (0.48) TDP1TP53ALDH1A1CYP3A4MAPK1
SCHEMBL12662829 0.84 CYP1A1 (0.48) TDP1TP53ALDH1A1CYP3A4MAPK1
SCHEMBL27238971 0.83 ALDH1A1 (0.40) TDP1TP53ALDH1A1SMN1; SMN2TSHR
SCHEMBL181488 0.80 TP53 (0.56) TDP1TP53ALDH1A1TSHRTRPA1
SCHEMBL7082497 0.80 TP53 (0.56) TDP1TP53ALDH1A1TSHRTRPA1
SCHEMBL16951575 0.79 TDP1 (0.39) TDP1TP53ALDH1A1SMN1; SMN2CYP3A4
Methoxymethane SCHEMBL28663826 0.78 TDP1 (0.50) TDP1TP53ALDH1A1CYP3A4TSHR
SCHEMBL16959465 0.78 TP53 (0.38) TDP1TP53
Hydrogen Sulfide SCHEMBL29004367 0.78 TP53 (0.54) TDP1TP53ALDH1A1TSHRTRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9650297-B2 Additive including cross-linked polycarboxylic copolymer and cement composition comprising the same LG CHEM, LTD. (KR) 2017-05-16 US claimed
US-9126867-B2 Additive including polycarboxylic copolymer and cement composition comprising the same LG CHEM, LTD. (KR) 2015-09-08 US claimed
US-20150203402-A1 ADDITIVE INCLUDING CROSS-LINKED POLYCARBOXYLIC COPOLYMER AND CEMENT COMPOSITION COMPRISING THE SAME LG CHEM, LTD. (KR) 2015-07-23 US claimed
US-20150175484-A1 ADDITIVE INCLUDING POLYCARBOXYLIC COPOLYMER AND CEMENT COMPOSITION COMPRISING THE SAME LG CHEM, LTD. (KR) 2015-06-25 US claimed
EP-1517868-B1 CEMENT ADMIXTURE HAVING SUPERIOR WATER-REDUCING PROPERTIES AND METHOD FOR PREPARING THE SAME LG CHEMICAL LTD (KR) 2009-11-18 EP claimed
US-6939402-B2 Cement admixture having superior water-reducing properties and method for preparing the same LG CHEM, LTD. (KR) 2005-09-06 US claimed
EP-1517868-A1 CEMENT ADMIXTURE HAVING SUPERIOR WATER-REDUCING PROPERTIES AND METHOD FOR PREPARING THE SAME LG Chem, Ltd. (KR) 2005-03-30 EP claimed
US-20040118324-A1 Cement admixture having superior water-reducing properties and method for preparing the same LG CHEM, LTD. 2004-06-24 US claimed
WO-2004002917-A1 CEMENT ADMIXTURE HAVING SUPERIOR WATER-REDUCING PROPERTIES AND METHOD FOR PREPARING THE SAME LG CHEM, LTD. (KR) 2004-01-08 WO claimed
US-10029946-B2 Cement composition additive containing polycarboxylic acid copolymer, zinc oxide particles and gluconate LG CHEM, LTD. (KR) 2018-07-24 US disclosed
US-20170233292-A1 CEMENT COMPOSITION ADDITIVE CONTAINING POLYCARBOXYLIC ACID COPOLYMER, ZINC OXIDE PARTICLES AND GLUCONATE LG CHEM, LTD. (KR) 2017-08-17 US disclosed
US-9650297-B2 Additive including cross-linked polycarboxylic copolymer and cement composition comprising the same LG CHEM, LTD. (KR) 2017-05-16 US disclosed
US-9126867-B2 Additive including polycarboxylic copolymer and cement composition comprising the same LG CHEM, LTD. (KR) 2015-09-08 US disclosed
US-20150203402-A1 ADDITIVE INCLUDING CROSS-LINKED POLYCARBOXYLIC COPOLYMER AND CEMENT COMPOSITION COMPRISING THE SAME LG CHEM, LTD. (KR) 2015-07-23 US disclosed
US-20150175484-A1 ADDITIVE INCLUDING POLYCARBOXYLIC COPOLYMER AND CEMENT COMPOSITION COMPRISING THE SAME LG CHEM, LTD. (KR) 2015-06-25 US disclosed
EP-1517868-B1 CEMENT ADMIXTURE HAVING SUPERIOR WATER-REDUCING PROPERTIES AND METHOD FOR PREPARING THE SAME LG CHEMICAL LTD (KR) 2009-11-18 EP disclosed
US-6939402-B2 Cement admixture having superior water-reducing properties and method for preparing the same LG CHEM, LTD. (KR) 2005-09-06 US disclosed
EP-1517868-A1 CEMENT ADMIXTURE HAVING SUPERIOR WATER-REDUCING PROPERTIES AND METHOD FOR PREPARING THE SAME LG Chem, Ltd. (KR) 2005-03-30 EP disclosed
US-20040118324-A1 Cement admixture having superior water-reducing properties and method for preparing the same LG CHEM, LTD. 2004-06-24 US disclosed
WO-2004002917-A1 CEMENT ADMIXTURE HAVING SUPERIOR WATER-REDUCING PROPERTIES AND METHOD FOR PREPARING THE SAME LG CHEM, LTD. (KR) 2004-01-08 WO disclosed