SCHEMBL3924014

SCHEMBL3924014

CC(C)(C)OOOC(=O)c1ccccc1C(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
TSHR P16473 1/20 0.56
HSD17B10 Q99714 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
AKR1C3 P42330 2/20 0.49
ELANE P08246 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
LMNA P02545 2/20 0.42
CDC25B P30305 1/20 0.40
ATM Q13315 1/20 0.40
F2 P00734 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL29388336 0.90 ALDH1A1 (0.69) ALDH1A1TSHRHSD17B10TDP1AKR1C3
SCHEMBL1815675 0.90 ALDH1A1 (0.69) ALDH1A1TSHRHSD17B10TDP1AKR1C3
SCHEMBL29390328 0.88 TSHR (0.53) ALDH1A1TSHRHSD17B10TDP1ELANE
SCHEMBL629428 0.88 TSHR (0.53) ALDH1A1TSHRHSD17B10TDP1ELANE
SCHEMBL147900 0.86 POLB (0.57) ALDH1A1TSHRHSD17B10TDP1L3MBTL1
SCHEMBL5435699 0.85 ALDH1A1 (0.51) ALDH1A1TSHRHSD17B10TDP1AKR1C3
SCHEMBL6353849 0.84 ALDH1A1 (0.49) ALDH1A1TSHRHSD17B10TDP1AKR1C3
SCHEMBL28465057 0.84 ALDH1A1 (0.69) ALDH1A1TSHRHSD17B10TDP1ELANE
SCHEMBL28697 0.83 TDP1 (0.79) ALDH1A1TSHRHSD17B10TDP1ELANE
SCHEMBL9015728 0.81 TSHR (0.46) ALDH1A1TSHRHSD17B10TDP1ELANE

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-7514516-B2 Measurement and preparation of branched vinyl polymers FINA TECHNOLOGY, INC. (US) 2009-04-07 US disclosed
EP-1917305-A2 MEASUREMENT AND PREPARATION OF BRANCHED VINYL POLYMERS FINA TECHNOLOGY, INC. (US) 2008-05-07 EP disclosed
US-20070135529-A1 Production of polystyrene for foaming applications using a combination of peroxide initiators FINA TECHNOLOGY, INC. (US) 2007-06-14 US disclosed
WO-2007024637-A2 MEASUREMENT AND PREPARATION OF BRANCHED VINYL POLYMERS FINA TECHNOLOGY, INC. (US) 2007-03-01 WO disclosed
EP-1745092-A2 PRODUCTION OF POLYSTYRENE FOR FOAMING APPLICATIONS USING A COMBINATION OF PEROXIDE INITIATORS FINA TECHNOLOGY, INC. (US) 2007-01-24 EP disclosed
US-20050277754-A1 Measurement and preparation of branched vinyl polymers FINA TECHNOLOGY, INC. (US) 2005-12-15 US disclosed
US-6972311-B2 Optimizing polystyrene in the presence of additives FINA TECHNOLOGY, INC. (US) 2005-12-06 US disclosed
WO-2005113658-A2 PRODUCTION OF POLYSTYRENE FOR FOAMING APPLICATIONS USING A COMBINATION OF PEROXIDE INITIATORS FINA TECHNOLOGY, INC. (US) 2005-12-01 WO disclosed
WO-2004106428-A2 OPTIMIZING POLYSTYRENE IN THE PRESENCE OF ADDITIVES FINA TECHNOLOGY, INC. (US) 2004-12-09 WO disclosed
US-20040242827-A1 OPTIMIZING POLYSTYRENE IN THE PRESENCE OF ADDITIVES FINA TECHNOLOGY, INC. 2004-12-02 US disclosed