Cyclohexane

Cyclohexane

SCHEMBL4728225

C1CCCCC1.CO.ClCCl

nearest known ligand 0.40

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Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 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
Methylene Chloride SCHEMBL4784041 0.84 ALDH1A1 (0.57) ALDH1A1TSHRHSD17B10TDP1
Methylene Chloride SCHEMBL9625167 0.84 ALDH1A1 (0.57) ALDH1A1TSHRHSD17B10TDP1
Methylene Chloride SCHEMBL992285 0.84 ALDH1A1 (0.57) ALDH1A1TSHRHSD17B10TDP1
Methylene Chloride SCHEMBL2031974 0.84 ALDH1A1 (0.57) ALDH1A1TSHRHSD17B10TDP1
Methylene Chloride SCHEMBL4933917 0.84 ALDH1A1 (0.57) ALDH1A1TSHRHSD17B10TDP1
Methylene Chloride SCHEMBL1832445 0.84 ALDH1A1 (0.57) ALDH1A1TSHRHSD17B10TDP1
Cyclohexane SCHEMBL12475806 0.84 ALDH1A1 (0.57) ALDH1A1TSHR
Methylene Chloride SCHEMBL292514 0.84 ALDH1A1 (0.57) ALDH1A1TSHRHSD17B10TDP1
Cyclohexane SCHEMBL21879029 0.84 ALDH1A1 (0.57) ALDH1A1TSHR
Methylene Chloride SCHEMBL3199266 0.84 ALDH1A1 (0.57) ALDH1A1TSHRHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105241971-A Assay method of content of natural vitamin E in olive oil COFCO CHENGDU GRAIN AND OIL INDUSTRY CO LTD 2016-01-13 CN claimed
CN-105241971-A Assay method of content of natural vitamin E in olive oil COFCO CHENGDU GRAIN AND OIL INDUSTRY CO LTD 2016-01-13 CN disclosed
CN-203949812-U A kind of device of collecting electronic atomized liquid smoke gas HUA JIAN 2014-11-19 CN disclosed
CN-104048856-A Method and device for collecting smoke of electronic atomized liquid HUA JIAN 2014-09-17 CN disclosed
CN-103239453-A Maleic acid cinepazide composition LIAONING YILING KECHUANG BIOLOG MEDICAL TECHNOLOGY CO LTD 2013-08-14 CN disclosed
WO-2008037568-A2 REVERSIBLE TERMINATORS FOR EFFICIENT SEQUENCING BY SYNTHESIS QUIATECH AB (SE) 2008-04-03 WO disclosed
US-5112819-A Anticholesterol and antilipemic agents GLAXO GROUP LIMITED (GB) 1992-05-12 US disclosed
EP-0422895-A1 Chemical compounds GLAXO GROUP LIMITED (GB) 1991-04-17 EP disclosed
EP-0156191-B1 CONDENSED DIAZEPINONES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE COMPOUNDS Dr. Karl Thomae GmbH (DE) 1989-07-19 EP disclosed