SCHEMBL7976584

SCHEMBL7976584

C=CC(OC(=O)CC#N)OC(=O)C(=C)C

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL11217528 0.85 MCL1 (0.31) TSHR
SCHEMBL11385229 0.79 TSHR (0.35) TSHRALDH1A1
SCHEMBL2200436 0.79 TSHR (0.39) TSHRALDH1A1
SCHEMBL728562 0.79 ALDH1A1 (0.38) TSHRALDH1A1
SCHEMBL5143110 0.79 TSHR (0.32) TSHR
SCHEMBL20542186 0.78 ALDH1A1 (0.36) TSHRALDH1A1
SCHEMBL5846106 0.76 TSHR (0.33) TSHRALDH1A1
SCHEMBL10871045 0.76 ALDH1A1 (0.39) TSHRALDH1A1
SCHEMBL7644159 0.76 ALDH1A1 (0.39) TSHRALDH1A1
SCHEMBL10871051 0.74 ALDH1A1 (0.38) 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-6281310-B1 REACTING CYANOACETIC ACID WITH HYDROXYALKYL (METH)ACRYLATE CHEMENCE, INC. 2001-08-28 US disclosed