SCHEMBL8901753

SCHEMBL8901753

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

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.30
THRB P10828 1/20 0.30
RECQL P46063 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
SCHEMBL28185702 0.84
SCHEMBL28267250 0.79 TSHR (0.46) TSHR
Boric Acid SCHEMBL29245260 0.78
SCHEMBL790192 0.74
SCHEMBL291553 0.73
SCHEMBL3205780 0.71 MAPT (0.37) TSHR
SCHEMBL822892 0.70
SCHEMBL291550 0.69 TSHR (0.38) TSHRALDH1A1THRBRECQL
SCHEMBL20565358 0.69 TSHR (0.53) TSHRALDH1A1
SCHEMBL11057553 0.68

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
JP-9316040-A None JP disclosed
JP-H09316040-A NEW SUBSTRATE COMPOUND AND DETERMINATION OF CHOLINESTERASE ACTIVITY IATRON LAB INC 1997-12-09 JP disclosed