SCHEMBL7109697

SCHEMBL7109697

C=CC(=O)OCCOC(=O)C1(C(=O)OC)CC1C=C

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.42
ALDH1A1 P00352 3/20 0.42
TP53 P04637 2/20 0.42
HIF1A Q16665 2/20 0.42
HSD17B10 Q99714 1/20 0.42
HPGD P15428 1/20 0.39
CYP3A4 P08684 1/20 0.39
THRB P10828 2/20 0.37

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
SCHEMBL18556468 0.93 MAPT (0.31) TSHRCYP3A4
SCHEMBL16865195 0.88 ALDH1A1 (0.37) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL19849335 0.84
SCHEMBL11896924 0.83 MAPT (0.33) TSHRALDH1A1CYP3A4
SCHEMBL812061 0.83 MAPT (0.33) TSHRALDH1A1CYP3A4
SCHEMBL12530121 0.83 MAPT (0.33) TSHRALDH1A1CYP3A4
SCHEMBL19849305 0.82 MEN1 (0.44) ALDH1A1
SCHEMBL15030970 0.82 ALDH1A1 (0.37) TSHRALDH1A1CYP3A4
SCHEMBL19844308 0.82 CYP4F2 (0.39) TSHRALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL11184378 0.81 SMN1; SMN2 (0.40) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150188193-A1 NON-AQUEOUS LIQUID ELECTROLYTE FOR SECONDARY BATTERY AND SECONDARY BATTERY FUJIFILM CORPORATION (JP) 2015-07-02 US disclosed
US-20150188193-A1 NON-AQUEOUS LIQUID ELECTROLYTE FOR SECONDARY BATTERY AND SECONDARY BATTERY FUJIFILM CORPORATION (JP) 2015-07-02 US disclosed
EP-0867444-B1 Hydrolyzable and polymeryzable vinylcyclopropanesilanes IVOCLAR VIVADENT AG (LI) 2003-10-08 EP disclosed
US-6034151-A Hydrolyzable and polymerizable vinylcyclopropane silanes IVOCLAR AG (LI) 2000-03-07 US disclosed
EP-0867444-A2 Hydrolyzable and polymeryzable vinylcyclopropanesilanes IVOCLAR AG (LI) 1998-09-30 EP disclosed