SCHEMBL1952425

SCHEMBL1952425

C=CC(=O)OCCCC.C=CCOC(=O)C(=C)C

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.67
HPGD P15428 1/20 0.67
ALDH1A1 P00352 4/20 0.49
CYP3A4 P08684 1/20 0.49
ATM Q13315 1/20 0.47
HCAR2 Q8TDS4 3/20 0.42
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TP53 P04637 2/20 0.41
HIF1A Q16665 2/20 0.41
HSD17B10 Q99714 1/20 0.41
THRB P10828 3/20 0.40
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL10457292 0.97 TSHR (0.63) TSHRHPGDALDH1A1CYP3A4ATM
Acrylic Acid Ethyl Ester SCHEMBL7100314 0.96 TSHR (0.61) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL3854884 0.95 TSHR (0.61) TSHRHPGDALDH1A1CYP3A4ATM
1,4-Butanediol SCHEMBL9333775 0.94 TSHR (0.59) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL7959080 0.94 TSHR (0.59) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL313059 0.91 TSHR (0.76) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL7997856 0.91 TSHR (0.66) TSHRHPGDALDH1A1ATMHCAR2
SCHEMBL8161487 0.90 TSHR (0.54) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL9770236 0.90 TSHR (0.54) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL3900902 0.90 TSHR (0.66) TSHRHPGDALDH1A1CYP3A4ATM

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
JP-4306201-A None JP disclosed
US-8466214-B2 Core-shell impact modifiers for transparent polymer matrices ARKEMA FRANCE (FR) 2013-06-18 US disclosed
CN-101878270-B Impact resistant, flame retardant thermoplastic molding composition BAYER MATERIALSCIENCE LLC 2013-01-09 CN disclosed
US-20110136980-A1 NOVEL CORE-SHELL IMPACT MODIFIERS FOR TRANSPARENT POLYMER MATRICES ARKEMA FRANCE (FR) 2011-06-09 US disclosed
JP-H04306201-A METHOD FOR RADICAL POLYMERIZATION TOAGOSEI CHEM IND CO LTD 1992-10-29 JP disclosed
US-4879348-A IMPACT MODIFICATION OF THERMOPLASTIC POLYMERS THE DOW CHEMICAL COMPANY (US) 1989-11-07 US disclosed