SCHEMBL28113643

SCHEMBL28113643

CC(C)OC=O.Clc1cc(Cl)c(Cl)cn1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KCNQ3 O43525 1/20 0.31
▸ KCNQ2 O43526 1/20 0.31

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
Ethoxycarbonyl Group SCHEMBL28113137 0.76 DGAT1 (0.33) —
Formic Acid SCHEMBL27876421 0.75 KMT2A (0.34) KCNQ3KCNQ2
SCHEMBL27436619 0.75 ALDH1A1 (0.37) —
SCHEMBL727359 0.74 — —
SCHEMBL29449468 0.74 — —
SCHEMBL32681746 0.72 GABRP (0.33) KCNQ3KCNQ2
SCHEMBL27710993 0.67 ALDH1A1 (0.31) —
SCHEMBL30154499 0.67 TDP1 (0.30) —
SCHEMBL9293 0.67 — —
Formic Acid Methyl Ester SCHEMBL28061250 0.67 ALDH1A1 (0.40) —

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-106146393-A Prepare 3,4,6-trichloropyridine-2-formic acid and the method for corresponding esters thereof 利尔化学股份有限公司 2016-11-23 — — CN disclosed
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