SCHEMBL28114593

SCHEMBL28114593

CCCC(C#N)C#N.N#CCCC(Br)(C#N)CBr

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32

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
SCHEMBL28844645 0.83 TSHR (0.52) TSHR
Water SCHEMBL18694754 0.80 ALDH1A1 (0.33)
SCHEMBL154866 0.80 ALDH1A1 (0.33)
SCHEMBL29349966 0.80 ALDH1A1 (0.33)
SCHEMBL9221281 0.79 TSHR (0.57) TSHR
SCHEMBL21627337 0.79 TSHR (0.32) TSHR
SCHEMBL2819842 0.72
SCHEMBL8942424 0.72
Formic Acid Methyl Ester SCHEMBL28270040 0.70 CASP1 (0.33)
SCHEMBL625810 0.70

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-106689128-A Antiseptic composition containing bromothalonil and phenamacri 广东中迅农科股份有限公司 2017-05-24 CN disclosed
CN-106070238-A A kind of containing bromothalonil with the bactericidal composition of prothioconazoles 广东中迅农科股份有限公司 2016-11-09 CN disclosed