SCHEMBL4581395

SCHEMBL4581395

C=C(C#N)OCC(C)OCC

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.31

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
SCHEMBL56468 0.74
SCHEMBL2535560 0.69 TSHR (0.68) TSHRALDH1A1LMNA
SCHEMBL1469447 0.69 ALDH1A1 (0.48) TSHRALDH1A1LMNA
SCHEMBL17150351 0.67 LMNA (0.36) TSHRALDH1A1LMNA
SCHEMBL16247950 0.67
SCHEMBL2777851 0.67 ALDH1A1 (0.50) TSHRALDH1A1LMNA
SCHEMBL7600300 0.67 ALDH1A1 (0.47) TSHRALDH1A1
SCHEMBL14905777 0.67 LMNA (0.36) TSHRALDH1A1LMNA
SCHEMBL26116078 0.67 TSHR (0.63) TSHRALDH1A1LMNA
SCHEMBL22502668 0.66 CYP2C9 (0.41) TSHRALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1922364-A2 METHODS AND MATERIALS FOR FABRICATING MICROFLUIDIC DEVICES The University of North Carolina At Chapel Hill (US) 2008-05-21 EP disclosed
WO-2007021762-A2 METHODS AND MATERIALS FOR FABRICATING MICROFLUIDIC DEVICES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2007-02-22 WO disclosed
EP-0939778-A1 PERFLUOROELASTOMER COMPOSITION HAVING IMPROVED PROCESSABILITY E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-09-08 EP disclosed
WO-1998023655-A1 PERFLUOROELASTOMER COMPOSITION HAVING IMPROVED PROCESSABILITY E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-06-04 WO disclosed