SCHEMBL11323191

SCHEMBL11323191

C=C(C)C(=O)OCCN1CCOC1(C)CC

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
TSHR P16473 3/20 0.40
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL8677312 0.85 TSHR (0.40) THRBTSHRALDH1A1
SCHEMBL8675820 0.84 THRB (0.40) THRBTSHRALDH1A1
SCHEMBL11504218 0.78 THRB (0.37) THRBTSHRALDH1A1
SCHEMBL5369005 0.77 THRB (0.46) THRBTSHRALDH1A1
SCHEMBL11530639 0.76 THRB (0.46) THRBTSHRALDH1A1
SCHEMBL11527930 0.75 THRB (0.46) THRBTSHRALDH1A1
SCHEMBL17029722 0.71 THRB (0.39) THRBTSHRALDH1A1
SCHEMBL5366993 0.70 THRB (0.42) THRBTSHRALDH1A1
SCHEMBL235038 0.70 THRB (0.50) THRBTSHRALDH1A1
SCHEMBL12860038 0.70 THRB (0.50) THRBTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4308356-A Hydrocurable ambient curing polyepoxide coating and adhesive compositions and method of using same ROHM AND HAAS COMPANY (US) 1981-12-29 US claimed