SCHEMBL905326

SCHEMBL905326

C=C(C)C(=O)OCCCCCCO.C=C(C)C(=O)OCCO

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.67
POLB P06746 1/20 0.50
APEX1 P27695 1/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
THRB P10828 1/20 0.48
ACHE P22303 7/20 0.42
ALDH1A1 P00352 4/20 0.38
CYP3A4 P08684 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
NAAA Q02083 1/20 0.34

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
SCHEMBL5271777 0.98 TSHR (0.63) TSHRPOLBAPEX1HTTTDP1
SCHEMBL37007 0.96 TSHR (0.71) TSHRPOLBAPEX1HTTTDP1
SCHEMBL2763349 0.96 TSHR (0.71) TSHRPOLBAPEX1HTTTDP1
SCHEMBL3504429 0.96 TSHR (0.71) TSHRPOLBAPEX1HTTTDP1
1,6-Hexanediol SCHEMBL8740541 0.96 TSHR (0.71) TSHRPOLBAPEX1HTTTDP1
SCHEMBL25498 0.96 TSHR (0.71) TSHRPOLBAPEX1HTTTDP1
SCHEMBL3504159 0.96 TSHR (0.71) TSHRPOLBAPEX1HTTTDP1
SCHEMBL341500 0.96 TSHR (0.71) TSHRPOLBAPEX1HTTTDP1
1,6-Hexanediol SCHEMBL2679954 0.96 TSHR (0.71) TSHRPOLBAPEX1HTTTDP1
SCHEMBL3503114 0.96 TSHR (0.71) TSHRPOLBAPEX1HTTTDP1

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-8506902-B2 Colorimetric sensor 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-08-13 US disclosed
EP-1728067-B1 COLORIMETRIC SENSOR 3M INNOVATIVE PROPERTIES CO (US) 2011-01-19 EP disclosed
US-20090035179-A1 COLORIMETRIC SENSOR 3M INNOVATIVE PROPERTIES COMPANY 2009-02-05 US disclosed
US-7449146-B2 Colorimetric sensor 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-11-11 US disclosed
EP-1728067-A1 COLORIMETRIC SENSOR 3M Innovative Properties Company (US) 2006-12-06 EP disclosed
WO-2005111588-A1 COLORIMETRIC SENSOR 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-11-24 WO disclosed
EP-1546701-A1 REFLECTIVE COLORIMETRIC SENSING ELEMENT 3M Innovative Properties Company (US) 2005-06-29 EP disclosed
US-20040184948-A1 Colorimetric sensor 3M INNOVATIVE PROPERTIES COMPANY 2004-09-23 US disclosed
WO-2004031760-A1 REFLECTIVE COLORIMETRIC SENSING ELEMENT 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-04-15 WO disclosed
US-20040062682-A1 Colorimetric sensor 3M INNOVATIVE PROPERTIES COMPANY 2004-04-01 US disclosed