SCHEMBL5074348

SCHEMBL5074348

C=C(C)C(=O)OCC1CC(C)(C)N(C)C(C)(C)C1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
TSHR P16473 3/20 0.37
THRB P10828 1/20 0.35

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
SCHEMBL13567318 0.84 THRB (0.40) ALDH1A1TSHRTHRB
SCHEMBL8384361 0.80 TSHR (0.41) ALDH1A1TSHRTHRB
SCHEMBL5076479 0.79 ALDH1A1 (0.49) ALDH1A1TSHRTHRB
SCHEMBL9008779 0.77 THRB (0.42) ALDH1A1TSHRTHRB
SCHEMBL15880047 0.76 ALDH1A1 (0.30) ALDH1A1
SCHEMBL496421 0.75 ALDH1A1 (0.60) ALDH1A1TSHRTHRB
SCHEMBL2783842 0.75 ALDH1A1 (0.60) ALDH1A1TSHRTHRB
SCHEMBL12269715 0.75 ALDH1A1 (0.60) ALDH1A1TSHRTHRB
SCHEMBL8854706 0.75 TSHR (0.39) ALDH1A1TSHR
SCHEMBL67638 0.75 TSHR (0.39) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1798248-B1 WATER-DISPERSED POLYURETHANE COMPOSITION ADEKA CORP (JP) 2014-03-12 EP disclosed
CN-101855301-B Resin composition and resin molded article ADEKA CORP 2012-05-30 CN disclosed
CN-101855301-A Resin composition and resin molded article ADEKA CORP 2010-10-06 CN disclosed
US-20080194757-A1 Water-Dispersed Polyurethane Composition ADEKA CORPORATION (JP) 2008-08-14 US disclosed
EP-1798248-A1 WATER-DISPERSED POLYURETHANE COMPOSITION Adeka Corporation (JP) 2007-06-20 EP disclosed
US-20060121204-A1 Water-based intercoating composition and method of forming multilayered coating film NIPPON PAINT CO., INC. (JP) 2006-06-08 US disclosed
EP-0879855-A1 THERMOPLASTIC RESIN COMPOSITION AND FILM MADE FROM THE COMPOSITION Mitsui Chemicals, Inc. (JP) 1998-11-25 EP disclosed