SCHEMBL3800942

SCHEMBL3800942

[CH2]OCCOCCOCCCC

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.52
CYP3A4 P08684 3/20 0.50
MEN1 O00255 1/20 0.46
THRB P10828 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.46
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 2/20 0.34
RARB P10826 1/20 0.34
CES2 O00748 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL618226 1.00
SCHEMBL27996782 0.92 HTT (0.56) TSHRCYP3A4MEN1THRBHTT
SCHEMBL3790876 0.90 HTT (0.60) TSHRCYP3A4MEN1THRBHTT
SCHEMBL3798148 0.90 HTT (0.60) TSHRCYP3A4MEN1THRBHTT
SCHEMBL6655533 0.89 TSHR (0.52) TSHRCYP3A4MEN1THRBHTT
SCHEMBL8130254 0.89 TSHR (0.52) TSHRCYP3A4MEN1THRBHTT
Ethylene SCHEMBL2163469 0.85 TSHR (0.60) TSHRCYP3A4MEN1THRBHTT
Ethylene SCHEMBL15206334 0.85 TSHR (0.60) TSHRCYP3A4MEN1THRBHTT
SCHEMBL988078 0.85 TSHR (0.67) TSHRCYP3A4MEN1THRBHTT
SCHEMBL8636270 0.85 TSHR (0.67) TSHRCYP3A4MEN1THRBHTT

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
US-8441002-B2 Organic semiconductor composite, organic transistor material and organic field effect transistor TORAY INDUSTRIES, INC. (JP) 2013-05-14 US disclosed
EP-2109162-B1 ORGANIC SEMICONDUCTOR COMPOSITE, ORGANIC TRANSISTOR MATERIAL AND ORGANIC FIELD EFFECT TRANSISTOR TORAY INDUSTRIES (JP) 2013-05-01 EP disclosed
US-20100102299-A1 ORGANIC SEMICONDUCTOR COMPOSITE, ORGANIC TRANSISTOR MATERIAL AND ORGANIC FIELD EFFECT TRANSISTOR TORAY INDUSTRIES, INC. (JP) 2010-04-29 US disclosed
EP-2109162-A1 ORGANIC SEMICONDUCTOR COMPOSITE, ORGANIC TRANSISTOR MATERIAL AND ORGANIC FIELD EFFECT TRANSISTOR Toray Industries, Inc. (JP) 2009-10-14 EP disclosed
US-6159973-A Aromatic amides, their preparation process, the compositions containing them and their use as pesticides HOECHST SCHERING AGREVO S.A. (FR) 2000-12-12 US disclosed
US-6013837-A E.G.,4-(2-(3,4,5-TRICHLORO PHENYL) 1-FLUOROCYCLOPROPYL)-N-(2-METHYL PHENYL)BENZAMIDE; PARTICULAR USE AGAINST ARTHROPODS, HELMINTHS AND MOLLUSCS; INSECTICIDES; ACARICIDES; NEMATICIDES; PHOTOSTABILITY; NONTOXIC TO MAMMALS HOECHST MARION ROUSSEL (FR) 2000-01-11 US disclosed