SCHEMBL1025880

SCHEMBL1025880

C=CC(=O)C(C)OC(=O)C(=C)C

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.41
ALDH1A1 P00352 3/20 0.39
TP53 P04637 1/20 0.31
THRB P10828 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
SCHEMBL10708628 0.80 TSHR (0.46) TSHRALDH1A1
SCHEMBL27539999 0.80 ALDH1A1 (0.32) TSHRALDH1A1
Acrylic Acid SCHEMBL28214968 0.79 HCAR2 (0.42) TSHRALDH1A1TP53THRB
SCHEMBL27715043 0.79 TSHR (0.41) TSHRALDH1A1TP53THRB
SCHEMBL5249209 0.78 TSHR (0.46) TSHRALDH1A1THRB
SCHEMBL1755554 0.78 TSHR (0.46) TSHRALDH1A1THRB
SCHEMBL9323497 0.78 TSHR (0.46) TSHRALDH1A1THRB
Acrylamide SCHEMBL28108639 0.78 TSHR (0.44) TSHRALDH1A1
SCHEMBL9514502 0.78 ALDH1A1 (0.38) TSHRALDH1A1
SCHEMBL8939198 0.77 TSHR (0.36) TSHRALDH1A1

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-20110014420-A2 PHOTOPATTERNABLE IMAGING LAYERS FOR CONTROLLING BLOCK COPOLYMER MICRODOMAIN ORIENTATION WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2011-01-20 US claimed