SCHEMBL1949685

SCHEMBL1949685

FSc1c(F)c(F)c(F)c(F)c1OCC1CO1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 4/20 0.36
TSHR P16473 4/20 0.36
TP53 P04637 3/20 0.36
HIF1A Q16665 2/20 0.36
CYP3A4 P08684 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GLA P06280 1/20 0.34
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARG P37231 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL5954769 0.83 TDP1 (0.45) TDP1ALDH1A1TSHRTP53HIF1A
SCHEMBL232542 0.76 TDP1 (0.42) TDP1ALDH1A1TSHRTP53HIF1A
SCHEMBL18210492 0.69 ALDH1A1 (0.47) TDP1ALDH1A1TSHRTP53HIF1A
SCHEMBL6338162 0.67 ALDH1A1 (0.38) TDP1ALDH1A1TSHRTP53HIF1A
SCHEMBL24452978 0.67 ALDH1A1 (0.41) TDP1ALDH1A1TSHRTP53HIF1A
SCHEMBL10979600 0.66 ALDH1A1 (0.56) TDP1ALDH1A1TSHRTP53HIF1A
SCHEMBL19342768 0.65 ALDH1A1 (0.52) TDP1ALDH1A1TSHRTP53HIF1A
SCHEMBL9861683 0.65 TDP1 (0.47) TDP1ALDH1A1TSHRTP53HIF1A
SCHEMBL16716243 0.65 TDP1 (0.47) TDP1ALDH1A1TSHRTP53HIF1A
SCHEMBL4578575 0.63 TDP1 (0.42) TDP1ALDH1A1TSHRTP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8552120-B2 Grafted and functionalized high 1,4-trans polybutadiene with aromatic organosulfur compound KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2013-10-08 US claimed
US-8198378-B2 Aromatic organosulfur functionalized 1,4-cis polybutadiene KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2012-06-12 US claimed
US-20110136956-A1 1,4-CIS-POLYBUTADIENE FUNCTIONALIZED WITH ORGANOSULFUR COMPOUND FOR PREPARATION OF GOLF BALL CORE KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2011-06-09 US claimed
US-20100081770-A1 GRAFTED AND FUNCTIONALIZED HIGH 1,4-TRANS POLYBUTADIENE WITH AROMATIC ORGANOSULFUR COMPOUND KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2010-04-01 US claimed
US-20090156751-A1 Aromatic Organosulfur Functionalized 1,4-cis Polybutadiene KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2009-06-18 US claimed
US-8552120-B2 Grafted and functionalized high 1,4-trans polybutadiene with aromatic organosulfur compound KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2013-10-08 US disclosed
US-8198378-B2 Aromatic organosulfur functionalized 1,4-cis polybutadiene KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2012-06-12 US disclosed
US-20110136956-A1 1,4-CIS-POLYBUTADIENE FUNCTIONALIZED WITH ORGANOSULFUR COMPOUND FOR PREPARATION OF GOLF BALL CORE KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2011-06-09 US disclosed
US-20100081770-A1 GRAFTED AND FUNCTIONALIZED HIGH 1,4-TRANS POLYBUTADIENE WITH AROMATIC ORGANOSULFUR COMPOUND KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2010-04-01 US disclosed
US-20090156751-A1 Aromatic Organosulfur Functionalized 1,4-cis Polybutadiene KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2009-06-18 US disclosed