SCHEMBL27715714

SCHEMBL27715714

CCCCCCCCCC1(CCCC)CCCN1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.35
TSHR P16473 1/20 0.32
THRB P10828 1/20 0.32
CYP19A1 P11511 1/20 0.32
SIRT2 Q8IXJ6 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
SCHEMBL27695751 1.00 GAA (0.35) GAATSHRTHRBCYP19A1SIRT2
SCHEMBL27695807 1.00 GAA (0.35) GAATSHRTHRBCYP19A1SIRT2
SCHEMBL27695749 1.00 GAA (0.35) GAATSHRTHRBCYP19A1SIRT2
SCHEMBL27919852 0.98 GAA (0.36) GAATSHRTHRBCYP19A1SIRT2
SCHEMBL27695901 0.98 GAA (0.36) GAATSHRTHRBCYP19A1SIRT2
SCHEMBL27695741 0.98 GAA (0.36) GAATSHRTHRBCYP19A1SIRT2
SCHEMBL27695743 0.98 GAA (0.36) GAATSHRTHRBCYP19A1SIRT2
SCHEMBL28767398 0.98 GAA (0.36) GAATSHRTHRBCYP19A1SIRT2
SCHEMBL27695750 0.98 GAA (0.36) GAATSHRTHRBCYP19A1SIRT2
SCHEMBL27640084 0.98 GAA (0.36) GAATSHRTHRBCYP19A1SIRT2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101076617-A Electrochemical deposition of tantalum and/or copper in ionic liquids MERCK PATENT GMBH (DE) 2007-11-21 CN claimed
CN-102712661-B Prepare the method for perfluoroalkyl cyano group borate or perfluoroalkyl cyano group fluoroborate MERCK PATENT GMBH (DE) 2016-02-17 CN disclosed
CN-102712659-B Ionogen preparaton MERCK PATENT GMBH (DE) 2015-09-30 CN disclosed
CN-104903338-A Cobaltcomplex salts MERCK PATENT GMBH 2015-09-09 CN disclosed
CN-102712660-B Compounds containing perfluoroalkyl-cyano-alkoxy-borate anions or perfluoroalkyl-cyano-alkoxy-fluoro-borate anions MERCK PATENT GMBH 2015-06-03 CN disclosed
CN-103582647-A Compounds containing hydrido-tricyano-borate anions MERCK PATENT GMBH 2014-02-12 CN disclosed
CN-102712661-A Method for producing perfluoroalkyl cyanoborates or perfluoroalkyl cyanofluoroborates MERCK PATENT GMBH 2012-10-03 CN disclosed
CN-101076617-A Electrochemical deposition of tantalum and/or copper in ionic liquids MERCK PATENT GMBH (DE) 2007-11-21 CN disclosed