SCHEMBL8032684

SCHEMBL8032684

O=C(O)C(CCBr)(C(=O)O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.30
TP53 P04637 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
SCHEMBL2374038 0.71 ARG2 (0.35) TSHRALDH1A1TP53
SCHEMBL1854344 0.71
Hydrochloric Acid SCHEMBL4441658 0.69 ACLY (0.45) TSHRALDH1A1
SCHEMBL1558923 0.69
SCHEMBL375735 0.69 FFAR3 (0.38) TSHRALDH1A1
SCHEMBL29115069 0.69 ODC1 (0.39) TSHRALDH1A1
SCHEMBL4555671 0.69 LMNA (0.47) TSHRALDH1A1
SCHEMBL21293008 0.69 TSHR (0.37) TSHRALDH1A1TP53
SCHEMBL28515125 0.69 ARG2 (0.34) TSHRALDH1A1TP53
SCHEMBL1500318 0.67 MEN1 (0.35) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0779267-B1 Process for the preparation of triethyl-3-bromopropane-1,1,1-tricarboxylate GREAT LAKES UK LTD (GB) 2000-03-15 EP claimed
EP-0779267-B1 Process for the preparation of triethyl-3-bromopropane-1,1,1-tricarboxylate GREAT LAKES UK LTD (GB) 2000-03-15 EP disclosed
EP-0779267-A1 Process for the preparation of triethyl-3-bromopropane-1,1,1-tricarboxylate THE ASSOCIATED OCTEL COMPANY LIMITED (GB) 1997-06-18 EP disclosed