Decane

Decane

SCHEMBL738409

CCCCCCCCCC.CCCCCCCCCC.CCCCCCCCCC.CCCCCCCCCC.CCCCCCCCCC.CCCCCCCCCC.CN(C)C

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.73
THRB P10828 1/20 0.73
DNM1 Q05193 8/20 0.62
ALDH1A1 P00352 3/20 0.50
LMNA P02545 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HSD17B10 Q99714 1/20 0.50
SLC22A1 O15245 1/20 0.50

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
Tetradecane SCHEMBL27634629 1.00 TSHR (0.73) TSHRTHRBDNM1ALDH1A1LMNA
Hexadecane SCHEMBL738410 1.00 TSHR (0.73) TSHRTHRBDNM1ALDH1A1LMNA
Heptane SCHEMBL27354631 1.00 TSHR (0.73) TSHRTHRBDNM1ALDH1A1LMNA
Trimethylammonium SCHEMBL18106783 1.00 TSHR (0.73) TSHRTHRBDNM1ALDH1A1LMNA
Octane SCHEMBL639577 1.00 TSHR (0.73) TSHRTHRBDNM1ALDH1A1LMNA
Pentadecane SCHEMBL27367365 1.00 TSHR (0.73) TSHRTHRBDNM1ALDH1A1LMNA
Dodecane SCHEMBL4314349 1.00 TSHR (0.73) TSHRTHRBDNM1ALDH1A1LMNA
Decane SCHEMBL28596369 1.00 TSHR (0.73) TSHRTHRBDNM1ALDH1A1LMNA
Octane SCHEMBL28596371 1.00 TSHR (0.73) TSHRTHRBDNM1ALDH1A1LMNA
Trimethylammonium SCHEMBL27943893 1.00 TSHR (0.73) TSHRTHRBDNM1ALDH1A1LMNA

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 84 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106540660-B For absorbing CO2The ionic liquid adsorbent material of gas and its application 中国石油化工股份有限公司 2019-06-04 CN claimed
CN-106540660-A For absorbing CO2The ionic liquid adsorbing material of gas and its application 中国石油化工股份有限公司 2017-03-29 CN claimed
EP-2116242-B1 NEW PHARMACEUTICAL COMPOSITION SHENZHEN SALUBRIS PHARM CO LTD (CN) 2016-10-12 EP claimed
CN-103751135-A Zolmitriptan fast-release tablet and preparation method thereof SHANGHAI TIANLONG PHARMACEUTICAL CO LTD 2014-04-30 CN claimed
CN-103751128-A Rapid-release fructose diphosphate sodium SHANGHAI SANDY BIOPHARMACEUTICAL CO LTD 2014-04-30 CN claimed
CN-103169678-A Sulfadiazine rapid release tablet and preparation method thereof SHANGHAI TIANLONG PHARMACEUTICAL CO LTD 2013-06-26 CN claimed
CN-101616668-B New pharmaceutical composition ALLIST PHARMACEUTICALS INC 2013-01-09 CN claimed
CN-102648918-A New application of fructose diphosphate SHANGHAI TIANLONG PHARMACEUTICAL CO LTD 2012-08-29 CN claimed
US-8138214-B2 Pharmaceutical composition SHANGHAI ALLIST PHARMACEUTICAL, INC. (CN) 2012-03-20 US claimed
CN-102114236-A Biochemical oral liquid and preparation method thereof SHANXI ZHENDONG PHARMACEUTICAL CO LTD 2011-07-06 CN claimed
CN-1739504-A L-ornidazole prepn YANZIJIANG PHARMACEUTICAL INDU (CN) 2006-03-01 CN claimed
CN-1732935-A Compound orally administered formulation of Carvedilol and manidipine HU CAIZHONG (CN) 2006-02-15 CN claimed
CN-1732927-A Orally administered formulation of mitiglinide calaium hydrate HU CAIZHONG (CN) 2006-02-15 CN claimed
CN-1689566-A Compound carvedilol benidipine oral preparation HU CAIZHONG (CN) 2005-11-02 CN claimed
CN-1557311-A Fibrauretine capsule tablet and its preparation method 黄 羿 2004-12-29 CN claimed
CN-1457782-A Dry spaxxacin suspension agent for resisting bacterial infection and its preparing method HONGYI SCIENCE AND TECHNOLOGY (CN) 2003-11-26 CN claimed
CN-1444940-A Cresol powder with dissolution increased and its preparing method-analgesic, antipyretic and anti-inflammatory agent HONGYI SCIENCE AND TECHNOLOGY (CN) 2003-10-01 CN claimed
CN-1443535-A Tegasevod maleate oral preparation and its preparation process-for curing intestinal irritability syndrome NANCHANG HONGYI SCIENCE & TECH (CN) 2003-09-24 CN claimed
CN-1439363-A Dichloroacetic acid diisopropylamine oral preparation and its preparation process-treatment of liver function injury HONGYI SCIENCE & TECHNOLOGY CO (CN) 2003-09-03 CN claimed
CN-1439373-A Oral preparation of mehanesulfonae pezusacine and its preparing process-antiinfection HONGYI SCIENCE & TECHNOLOGY CO (CN) 2003-09-03 CN claimed