SCHEMBL7530690

SCHEMBL7530690

C=C(C)C(=O)OCC1CO1.C=C(C)C(=O)OCCCCCCCCCCCC.C=C(C)C(=O)OCCCCCCCCCCCCCCCCCC

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.71
TSHR P16473 2/20 0.69
TDP1 Q9NUW8 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.42
THRB P10828 1/20 0.41
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
HTT P42858 1/20 0.41
NAAA Q02083 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
RAD52 P43351 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL13517217 1.00 ALDH1A1 (0.71) ALDH1A1TSHRTDP1SMN1; SMN2THRB
SCHEMBL28328964 1.00 ALDH1A1 (0.71) ALDH1A1TSHRTDP1SMN1; SMN2THRB
SCHEMBL3363392 1.00 ALDH1A1 (0.71) ALDH1A1TSHRTDP1SMN1; SMN2THRB
SCHEMBL7528392 1.00 ALDH1A1 (0.71) ALDH1A1TSHRTDP1SMN1; SMN2THRB
SCHEMBL5475274 1.00 ALDH1A1 (0.71) ALDH1A1TSHRTDP1SMN1; SMN2THRB
SCHEMBL6939710 0.94 ALDH1A1 (0.76) ALDH1A1TSHRTDP1SMN1; SMN2THRB
SCHEMBL7050310 0.94 ALDH1A1 (0.62) ALDH1A1TSHRTDP1SMN1; SMN2THRB
Ethylene SCHEMBL20476752 0.93 ALDH1A1 (0.73) ALDH1A1TSHRTDP1SMN1; SMN2THRB
SCHEMBL4779336 0.93 ALDH1A1 (0.83) ALDH1A1TSHRTDP1SMN1; SMN2THRB
Hexane SCHEMBL28284072 0.93 ALDH1A1 (0.83) ALDH1A1TSHRTDP1SMN1; SMN2THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020058729-A1 Electrostatic ink jet ink and method of controlling electrostatic charges of color material in the ink MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 2002-05-16 US disclosed
US-3990980-A Hybrid liquid toners PHILIP A. HUNT CHEMICAL CORPORATION (US) 1976-11-09 US disclosed
US-3991226-A Method of creating an image using hybrid liquid toners PHILIP A. HUNT CHEMICAL CORPORATION (US) 1976-11-09 US disclosed