Hexane

Hexane

SCHEMBL1047425

CCCCCC.CCCCCCCC[Al](CCCCCCCC)CCCCCCCC

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.57
THRB P10828 1/20 0.57
DNM1 Q05193 7/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 1/20 0.42
SLC22A1 O15245 1/20 0.42
EPHX1 P07099 1/20 0.42

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
Heptane SCHEMBL6575954 1.00 TSHR (0.57) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL15063 1.00 TSHR (0.57) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL9350922 1.00 TSHR (0.57) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL4609543 1.00 TSHR (0.57) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL80948 1.00 TSHR (0.57) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL23040209 1.00 TSHR (0.57) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL149096 1.00 TSHR (0.57) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL6292836 1.00 TSHR (0.57) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL14784986 1.00 TSHR (0.57) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL9506036 1.00 TSHR (0.57) 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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106573998-A Olefin polymerization catalyst and process for producing olefin polymer 日本聚乙烯株式会社 2017-04-19 CN disclosed
CN-104031183-B A kind of for the catalytic component of olefinic polymerization, preparation method and application thereof 任丘市利和科技发展有限公司 2016-06-29 CN disclosed
CN-105646742-A Olefin polymer-containing catalyst component and catalyst used for olefin polymerization 任丘市利和科技发展有限公司 2016-06-08 CN disclosed
CN-103601831-B The oligopolymer based on propylene of high-vinyl end-blocking EXXON CHEMICAL PATENTS INC. (US) 2016-03-16 CN disclosed
CN-104119463-A Catalyst component for vinyl polymerization and preparation method and application of catalyst component RENQIU LIHE TECHNOLOGY DEV CO LTD 2014-10-29 CN disclosed
CN-104031183-A A catalyst component used for olefin polymerization, and a preparing method and applications thereof RENQIU LIHE TECHNOLOGY DEV CO LTD 2014-09-10 CN disclosed
CN-102066441-B High vinyl terminated propylene-based oligomers EXXONMOBIL CHEM PATENTS INC 2014-03-12 CN disclosed
CN-103601831-A High vinyl terminated propylene-based oligomers EXXONMOBIL CHEM PATENTS INC 2014-02-26 CN disclosed
CN-102066442-B Polymacromonomer and process for production thereof EXXONMOBIL CHEM PATENTS INC 2013-10-02 CN disclosed
CN-102066440-B Functionalized high vinyl terminated propylene based oligomers EXXONMOBIL CHEM PATENTS INC 2013-04-10 CN disclosed
US-8404792-B2 Cyclobutene polymers and methods of making the same North Carolina Sate University (US) 2013-03-26 US disclosed
US-8030424-B2 Cyclobutene polymers and methods of making the same NORTH CAROLINA STATE UNIVERSITY (US) 2011-10-04 US disclosed
CN-102066440-A Functionalized high vinyl terminated propylene based oligomers EXXONMOBIL CHEM PATENTS INC 2011-05-18 CN disclosed
CN-102066441-A High vinyl terminated propylene-based oligomers EXXONMOBIL CHEM PATENTS INC 2011-05-18 CN disclosed
CN-102066442-A Polymacromonomer and process for production thereof EXXONMOBIL CHEM PATENTS INC 2011-05-18 CN disclosed
US-20110003954-A1 CYCLOBUTENE POLYMERS AND METHODS OF MAKING THE SAME NORTH CAROLINA STATE UNIVERSITY 2011-01-06 US disclosed
WO-2008024241-A2 CYCLOBUTENE POLYMERS AND METHODS OF MAKING THE SAME NORTH CAROLINA STATE UNIVERSITY (US) 2008-02-28 WO disclosed
US-7332551-B2 Partially fluorinated naphthyl-based borates EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-02-19 US disclosed
US-20050049436-A1 Partially fluorinated naphthyl-based borates EXXONMOBIL CHEMICAL PATENTS INC. 2005-03-03 US disclosed
WO-2000005774-A9 BLOCK COPOLYMER ELECTROLYTE MASSACHUSETTS INST TECHNOLOGY (US) 2000-06-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050049436-A1 Partially fluorinated naphthyl-based borates NBAS, TNK1, POF1B TSHR 2869/4885THRB 3134/4885DNM1 477/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.