SCHEMBL4914458

SCHEMBL4914458

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

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
THRB P10828 1/20 0.36
TSHR P16473 4/20 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
Methacrylic Acid SCHEMBL8971064 0.91 ALDH1A1 (0.37) ALDH1A1THRBTSHR
SCHEMBL7761321 0.88 THRB (0.41) ALDH1A1THRBTSHR
SCHEMBL11662963 0.86 TSHR (0.30) TSHR
SCHEMBL9330576 0.86 TSHR (0.40) ALDH1A1TSHR
SCHEMBL9513361 0.86
SCHEMBL1318461 0.84 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL5480530 0.82 NPSR1 (0.34) ALDH1A1THRBTSHR
SCHEMBL6848936 0.82 ALDH1A1 (0.36) ALDH1A1THRBTSHR
SCHEMBL9562468 0.81 ALDH1A1 (0.54) ALDH1A1THRB
Acrylic Acid Ethyl Ester SCHEMBL11122421 0.81 TSHR (0.38) ALDH1A1THRBTSHR

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-20080229956-A1 ON-PRESS DEVELOPABLE LITHOGRAPHIC PRINTING PLATE PRECURSOR FUJIFILM CORPORATION (JP) 2008-09-25 US disclosed