SCHEMBL6673497

SCHEMBL6673497

C=C(C)C(=O)OC.C=C(C)C(=O)OCCCC.C=C(CO)C(=O)OCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.55
THRB P10828 1/20 0.45
ALDH1A1 P00352 3/20 0.43
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 2/20 0.36
ATM Q13315 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
EPHX1 P07099 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.31
ACHE P22303 4/20 0.31

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
SCHEMBL10758858 0.91 TSHR (0.66) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL9005833 0.88 TSHR (0.73) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL8522133 0.88 ALDH1A1 (0.56) TSHRTHRBALDH1A1MGAMGAA
SCHEMBL724296 0.86 TSHR (0.72) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL1877021 0.86 TSHR (0.72) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL1083624 0.84 TSHR (0.75) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL10936661 0.84 TSHR (0.51) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL7572485 0.83 TSHR (0.68) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL198447 0.83 TSHR (0.55) TSHRTHRBALDH1A1TDP1HPGD
SCHEMBL26126122 0.83 TSHR (0.55) TSHRTHRBALDH1A1TDP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1240255-B1 PIGMENT DISPERSIONS CONTAINING ABC-BLOCK POLYMER DISPERSANT DU PONT (US) 2004-09-22 EP disclosed
EP-1240255-A2 PIGMENT DISPERSIONS CONTAINING ABC-BLOCK POLYMER DISPERSANT E.I. DU PONT DE NEMOURS AND COMPANY (US) 2002-09-18 EP disclosed
US-6413306-B1 GROUP TRANSFER POLYMERIZATION OF ACRYLATES, AMINOACRYLATES, AND HYDROXYACRYLATES; QUATERNIZATION; BONDING WITH PRIMER TO IMPROVE INTERCOAT ADHESION WITH BASE COAT; NONFLAKING, NONCHIPPING; AUTOMOBILES, TRUCKS E. I. DU PONT DE NEMOURS AND COMPANY 2002-07-02 US disclosed
WO-2001025357-A2 PIGMENT DISPERSIONS CONTAINING ABC-BLOCK POLYMER DISPERSANT E.I. DU PONT DE NEMOURS AND COMPANY (US) 2001-04-12 WO disclosed