SCHEMBL5434893

SCHEMBL5434893

CCCCOCCCCCCCCCO

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.71
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
THRB P10828 1/20 0.70
HTT P42858 1/20 0.70
MAPT P10636 1/20 0.70
LMNA P02545 2/20 0.60
ALDH1A1 P00352 2/20 0.60
HSD17B10 Q99714 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.55
USP2 O75604 1/20 0.48
ACHE P22303 6/20 0.47
CES2 O00748 1/20 0.46
GAA P10253 1/20 0.45

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
SCHEMBL874676 1.00 TSHR (0.71) TSHRMEN1KMT2ATHRBHTT
SCHEMBL11081210 1.00 TSHR (0.71) TSHRMEN1KMT2ATHRBHTT
SCHEMBL2532324 1.00 TSHR (0.71) TSHRMEN1KMT2ATHRBHTT
SCHEMBL29098933 1.00 TSHR (0.71) TSHRMEN1KMT2ATHRBHTT
SCHEMBL822812 1.00 TSHR (0.71) TSHRMEN1KMT2ATHRBHTT
SCHEMBL9083720 1.00 TSHR (0.71) TSHRMEN1KMT2ATHRBHTT
SCHEMBL4495197 0.97 MEN1 (0.74) TSHRMEN1KMT2ATHRBHTT
1,4-Butanediol SCHEMBL9011697 0.97 MEN1 (0.74) TSHRMEN1KMT2ATHRBHTT
SCHEMBL13500010 0.97 MEN1 (0.74) TSHRMEN1KMT2ATHRBHTT
1,6-Hexanediol SCHEMBL9011792 0.97 MEN1 (0.74) TSHRMEN1KMT2ATHRBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017112865-A1 COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF AGENTS MODERNATX, INC. (US) 2017-06-29 WO disclosed
US-20070027058-A1 Process for producing detergent molecules comprising an ether linkage from butadiene EDWARDS CHARLES L 2007-02-01 US disclosed
US-20070027058-A1 Process for producing detergent molecules comprising an ether linkage from butadiene EDWARDS CHARLES L 2007-02-01 US disclosed
US-20070027058-A1 Process for producing detergent molecules comprising an ether linkage from butadiene EDWARDS CHARLES L 2007-02-01 US disclosed
US-20070021318-A1 Process for producing detergent molecules comprising an ether linkage from butadiene EDWARDS CHARLES L 2007-01-25 US disclosed
US-20070021318-A1 Process for producing detergent molecules comprising an ether linkage from butadiene EDWARDS CHARLES L 2007-01-25 US disclosed
US-20070021318-A1 Process for producing detergent molecules comprising an ether linkage from butadiene EDWARDS CHARLES L 2007-01-25 US disclosed
US-7141539-B2 Process for producing detergent molecules comprising an ether linkage from butadiene SHELL OIL COMPANY (US) 2006-11-28 US disclosed
WO-2005019138-A2 PROCESS FOR PRODUCING DETERGENT MOLECULES COMPRISING AN ETHER LINKAGE FROM BUTADIENE SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2005-03-03 WO disclosed
US-20050037940-A1 Process for producing detergent molecules comprising an ether linkage from butadiene SHELL OIL COMPANY 2005-02-17 US disclosed
US-5512207-A Azaaromatic compounds, process for their preparation, and their use in liquid-crystalline mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1996-04-30 US disclosed