SCHEMBL355709

SCHEMBL355709

CC#CC(OCC1CO1)OCC1CO1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
TSHR P16473 4/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 2/20 0.33
GLA P06280 1/20 0.32
TP53 P04637 2/20 0.30
MAPT P10636 2/20 0.30
HPGD P15428 2/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
KMT2A Q03164 1/20 0.30
PPARG P37231 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL355708 0.72 ALDH1A1 (0.42) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL2556581 0.70
SCHEMBL3975311 0.70
SCHEMBL635723 0.70 ALDH1A1 (0.46) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL39030 0.70
SCHEMBL1825593 0.69 TSHR (0.46) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
Fluoride SCHEMBL27904157 0.69
SCHEMBL26317505 0.69 ALDH1A1 (0.44) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL23175183 0.67
SCHEMBL11315103 0.67

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
EP-2046518-B1 PROCESS FOR PREPARING EROSION RESISTANT FOUNDRY SHAPES WITH AN EPOXY-ACRYLATE COLD-BOX BINDER ASK CHEMICALS LP (US) 2017-06-14 EP disclosed
EP-2593251-B1 FREE RADICAL INITIATOR COMPOSITIONS CONTAINING T-BUTYL HYDROPEROXIDE AND THEIR USE ASK CHEMICALS LP (US) 2015-10-07 EP disclosed
US-20130251588-A1 FREE RADICAL INITIATOR COMPOSITIONS CONTAINING T-BUTYL HYDROPEROXIDE AND THEIR USE ASK CHEMICALS L.P. (US) 2013-09-26 US disclosed
EP-2593251-A1 FREE RADICAL INITIATOR COMPOSITIONS CONTAINING T-BUTYL HYDROPEROXIDE AND THEIR USE Ask Chemicals L. P. (US) 2013-05-22 EP disclosed
US-20120014833-A1 FREE RADICAL INITIATOR COMPOSITIONS CONTAINING T-BUTYL HYDROPEROXIDE AND THEIR USE ASK CHEMICALS L.P. 2012-01-19 US disclosed
WO-2012007175-A1 FREE RADICAL INITIATOR COMPOSITIONS CONTAINING T-BUTYL HYDROPEROXIDE AND THEIR USE ASK CHEMICALS L. P. (US) 2012-01-19 WO disclosed
US-7723401-B2 Process for preparing erosion resistant foundry shapes with an epoxy-acrylate cold-box binder ASHLAND LICENSING AND INTELLECTUAL PROPERTY, LLC (US) 2010-05-25 US disclosed
EP-2046518-A2 PROCESS FOR PREPARING EROSION RESISTANT FOUNDRY SHAPES WITH AN EPOXY-ACRYLATE COLD-BOX BINDER Ashland Licensing and Intellectual Property LLC (US) 2009-04-15 EP disclosed
US-20080099179-A1 Process for preparing erosion resistant foundry shapes with an epoxy-acrylate cold-box binder ASHLAND LICENSING AND INTELLECTUAL PROPERTY LLC 2008-05-01 US disclosed
WO-2008005504-A2 PROCESS FOR PREPARING EROSION RESISTANT FOUNDRY SHAPES WITH AN EPOXY-ACRYLATE COLD-BOX BINDER ASHLAND LICENSING AND INTELLECTUAL PROPERTY LLC (US) 2008-01-10 WO disclosed