SCHEMBL27633342

SCHEMBL27633342

Brc1ccc(Br)c(Br)c1Br.CN=C=O

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
CASP1 P29466 1/20 0.47
CYP3A4 P08684 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
SCHEMBL27633310 0.85 TSHR (0.43) TSHRCASP1CYP3A4
SCHEMBL27614286 0.79 TSHR (0.47) TSHRCASP1CYP3A4
SCHEMBL4285629 0.73 CYP3A4 (0.40) TSHRCYP3A4
SCHEMBL29646281 0.72 CYP2A6 (0.39)
SCHEMBL358557 0.72 CYP2A6 (0.39)
SCHEMBL9680862 0.71 TSHR (0.60) TSHRCASP1CYP3A4
Formaldehyde SCHEMBL27993197 0.70 HSP90AA1 (0.35)
SCHEMBL30555943 0.69 CYP2A6 (0.36)
Methane SCHEMBL28608338 0.69 CYP2A6 (0.36)
SCHEMBL30555886 0.69 CYP2A6 (0.36)

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
CN-100369316-C Nonaqueous electrolyte secondary battery MATSUSHITA ELECTRIC INDUSTRIAL CO LTD (JP) 2008-02-13 CN disclosed
CN-1700502-A Nonaqueous electrolyte secondary battery MATSUSHITA ELECTRIC INDUSTRIAL CO LTD (JP) 2005-11-23 CN disclosed