SCHEMBL12466579

SCHEMBL12466579

CCCCOC(C=C(C)C(=O)O)(C=C(C)C(=O)O)COCCO

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HCAR2 Q8TDS4 1/20 0.31
ATM Q13315 1/20 0.31
ACHE P22303 1/20 0.30
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 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
SCHEMBL6676393 0.83 ALDH1A1 (0.37) TSHRALDH1A1HCAR2ATM
Di(Hydroxyethyl)Ether SCHEMBL14697223 0.77 TSHR (0.33) TSHRMEN1KMT2ACYP4F2CYP4A11
SCHEMBL6557566 0.73 ALDH1A1 (0.31) TSHRALDH1A1
SCHEMBL8851625 0.70 KDM4E (0.30) ALDH1A1
SCHEMBL3882434 0.70 CES1 (0.44) TSHRMEN1THRBHTTKMT2A
Di(Hydroxyethyl)Ether SCHEMBL28114665 0.69 TSHR (0.48) TSHRMEN1THRBHTTKMT2A
Di(Hydroxyethyl)Ether SCHEMBL4453213 0.69 TSHR (0.77) TSHRMEN1THRBHTTKMT2A
Butoxyethanol SCHEMBL28119710 0.69 TSHR (0.77) TSHRMEN1THRBHTTKMT2A
Butoxyethanol SCHEMBL587577 0.69 TSHR (0.77) TSHRMEN1THRBHTTKMT2A
SCHEMBL9637020 0.68 TSHR (0.56) TSHRMEN1THRBHTTKMT2A

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
EP-2925933-B1 NOVEL ROAD MARKINGS TO ASSIST THE RECOGNITION OF VEHICLE ENVIRONMENTS EVONIK ROEHM GMBH (DE) 2017-02-08 EP disclosed
EP-2925933-A1 NEW TYPE OF ROAD MARKINGS FOR SUPPORTING THE ENVIRONMENT DETECTION OF VEHICLES Evonik Röhm GmbH (DE) 2015-10-07 EP disclosed
WO-2014082821-A1 NEW TYPE OF ROAD MARKINGS FOR SUPPORTING THE ENVIRONMENT DETECTION OF VEHICLES EVONIK INDUSTRIES AG (DE) 2014-06-05 WO disclosed
EP-2668232-A1 IMPACT-MODIFIED REACTION RESIN Evonik Röhm GmbH (DE) 2013-12-04 EP disclosed
WO-2012100879-A1 IMPACT-MODIFIED REACTION RESIN EVONIK RÖHM GMBH (DE) 2012-08-02 WO disclosed