SCHEMBL4065864

SCHEMBL4065864

C=C(C)C(=O)OC(C=O)COCC

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.44
TSHR P16473 3/20 0.39
ALDH1A1 P00352 1/20 0.33
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL4067172 0.87 THRB (0.39) THRBTSHRALDH1A1
SCHEMBL4062183 0.84 TSHR (0.42) THRBTSHRALDH1A1CYP2C19
SCHEMBL4064266 0.82 ALDH1A1 (0.45) THRBTSHRALDH1A1
SCHEMBL11105602 0.82 TSHR (0.38) TSHRALDH1A1
SCHEMBL28569358 0.78 THRB (0.50) THRBTSHRALDH1A1
SCHEMBL2515977 0.78 TSHR (0.39) THRBTSHRALDH1A1
SCHEMBL4065862 0.77 TSHR (0.40) THRBTSHRALDH1A1
SCHEMBL3648810 0.77 THRB (0.48) THRBTSHRALDH1A1
SCHEMBL28180557 0.77 THRB (0.48) THRBTSHRALDH1A1
SCHEMBL11434772 0.75 THRB (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009158302-A2 VISCOUS ALPHA-CYANOACRYLATE COMPOSITIONS CLOSURE MEDICAL CORPORATION (US) 2009-12-30 WO claimed
WO-2009158302-A2 VISCOUS ALPHA-CYANOACRYLATE COMPOSITIONS CLOSURE MEDICAL CORPORATION (US) 2009-12-30 WO disclosed