SCHEMBL27900263

SCHEMBL27900263

C=C(C)C(=O)OP(=O)(CCBr)OCC.[H+]

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.39
TSHR P16473 4/20 0.35
THRB P10828 1/20 0.35
ALDH1A1 P00352 2/20 0.31
MAPT P10636 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
SCHEMBL3095451 0.81 TSHR (0.52) PPARDTSHRTHRBALDH1A1MAPT
SCHEMBL28815269 0.79 PPARD (0.38) PPARDTSHRTHRBALDH1A1
SCHEMBL27991251 0.78 PPARD (0.37) PPARDTSHRTHRB
SCHEMBL27836992 0.76 THRB (0.38) TSHRTHRBALDH1A1
SCHEMBL331812 0.74 PPARD (0.58) PPARDTSHR
SCHEMBL3630684 0.73 TSHR (0.48) PPARDTSHRTHRBALDH1A1
SCHEMBL4167475 0.73 TSHR (0.48) PPARDTSHRTHRBALDH1A1
SCHEMBL2812644 0.73 ALDH1A1 (0.42) TSHRTHRBALDH1A1
SCHEMBL872244 0.72 THRB (0.41) PPARDTSHRTHRBALDH1A1
SCHEMBL14955506 0.71 THRB (0.55) PPARDTSHRTHRBALDH1A1MAPT

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
CN-102821737-A Dental adhesive material kit KURARAY MEDICAL INC 2012-12-12 CN disclosed