SCHEMBL5141193

SCHEMBL5141193

C=C(C)C(=O)OCCO.CC(=CCC1CO1)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
THRB P10828 1/20 0.35
TSHR P16473 3/20 0.34

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
SCHEMBL9453050 0.83 ALDH1A1 (0.40) ALDH1A1TSHR
SCHEMBL5057657 0.80 ALDH1A1 (0.35) ALDH1A1
SCHEMBL1534045 0.80 ALDH1A1 (0.35) ALDH1A1
SCHEMBL5141190 0.78 ALDH1A1 (0.50) ALDH1A1THRBTSHR
SCHEMBL8837669 0.78 ALDH1A1 (0.81) ALDH1A1THRBTSHR
SCHEMBL1032756 0.76 ALDH1A1 (0.68) ALDH1A1THRBTSHR
SCHEMBL8534061 0.76 ALDH1A1 (0.51) ALDH1A1THRBTSHR
SCHEMBL29404752 0.76 ALDH1A1 (0.71) ALDH1A1TSHR
SCHEMBL4370786 0.76 ALDH1A1 (0.43) ALDH1A1THRB
SCHEMBL5031593 0.76 ALDH1A1 (0.43) ALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1508042-A4 BIOCHIPS WITH SURFACES COATED WITH POLYSACCHARIDE BASED HYDROGELS BIO RAD LABORATORIES (US) 2008-04-02 EP disclosed
EP-1508042-A2 BIOCHIPS WITH SURFACES COATED WITH POLYSACCHARIDE BASED HYDROGELS Ciphergen Biosystems, Inc. (US) 2005-02-23 EP disclosed
WO-2003093785-A2 BIOCHIPS WITH SURFACES COATED WITH POLYSACCHARIDE BASED HYDROGELS CIPHERGEN BIOSYSTEMS, INC. (US) 2003-11-13 WO disclosed