SCHEMBL3273407

SCHEMBL3273407

C1CCCCCC(COCC2CO2)(COCC2CO2)CCCCC1.C1CCCCCCCCCCC1.C1CCCCCCCCCCC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 2/20 0.37
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL37089 1.00 TSHR (0.45) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL2571589 1.00 TSHR (0.45) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL17435085 0.98 TSHR (0.44) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
Bicarbonate SCHEMBL17603240 0.91 TSHR (0.39) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL123580 0.89 TSHR (0.40) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL23169707 0.82 TSHR (0.46) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL1357524 0.80 TSHR (0.42) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL10473289 0.80 TSHR (0.47) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
Styrene SCHEMBL7622353 0.80 TDP1 (0.39) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL22361681 0.77 TSHR (0.52) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1725625-B1 COATING SUBSTANCE, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF IN THE PRODUCTION OF TRANSPARENT, CORROSION-INHIBITING COATINGS BASF COATINGS GMBH (DE) 2010-06-16 EP claimed
US-20090306241-A1 COATING SUBSTANCE, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF IN THE PRODUCTION OF TRANSPARENT, CORROSION-INHIBITING COATINGS BASF COATINGS AG (DE) 2009-12-10 US claimed
EP-1725625-A2 COATING SUBSTANCE, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF IN THE PRODUCTION OF TRANSPARENT, CORROSION-INHIBITING COATINGS BASF Coatings AG (DE) 2006-11-29 EP claimed
WO-2005056697-A2 COATING SUBSTANCE, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF IN THE PRODUCTION OF TRANSPARENT, CORROSION-INHIBITING COATINGS BASF COATINGS AG (DE) 2005-06-23 WO claimed
EP-1725625-B1 COATING SUBSTANCE, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF IN THE PRODUCTION OF TRANSPARENT, CORROSION-INHIBITING COATINGS BASF COATINGS GMBH (DE) 2010-06-16 EP disclosed
US-20090306241-A1 COATING SUBSTANCE, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF IN THE PRODUCTION OF TRANSPARENT, CORROSION-INHIBITING COATINGS BASF COATINGS AG (DE) 2009-12-10 US disclosed
EP-1725625-A2 COATING SUBSTANCE, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF IN THE PRODUCTION OF TRANSPARENT, CORROSION-INHIBITING COATINGS BASF Coatings AG (DE) 2006-11-29 EP disclosed
WO-2005056697-A2 COATING SUBSTANCE, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF IN THE PRODUCTION OF TRANSPARENT, CORROSION-INHIBITING COATINGS BASF COATINGS AG (DE) 2005-06-23 WO disclosed