Hexane

Hexane

SCHEMBL3357674

CCCCCC.O=C=NCN=C=O

nearest known ligand 0.39

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
THRB P10828 1/20 0.39
NAAA Q02083 1/20 0.39
CES2 O00748 4/20 0.33
CES1 P23141 4/20 0.33
LMNA P02545 1/20 0.33
EPHX2 P34913 1/20 0.32
AKR1B1 P15121 1/20 0.32
SLC22A1 O15245 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
SLC22A2 O15244 1/20 0.32
PTPN7 P35236 2/20 0.31
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 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
Hexane SCHEMBL6756710 1.00 TSHR (0.39) TSHRTHRBNAAACES2CES1
Heptane SCHEMBL6858384 0.97 TSHR (0.44) TSHRTHRBNAAACES2CES1
Dodecane SCHEMBL4614619 0.97 TSHR (0.44) TSHRTHRBNAAACES2CES1
Pentane SCHEMBL5376888 0.94 TSHR (0.41) TSHRTHRBNAAALMNA
Butane SCHEMBL2777225 0.88 TSHR (0.33) TSHR
SCHEMBL9571006 0.84 FDPS (0.32) CES2
SCHEMBL7527773 0.82 MAPT (0.34) NAAAMAPTGPR84
Hexane SCHEMBL10390111 0.82 NAAA (0.44) TSHRTHRBNAAACES2CES1
SCHEMBL21631 0.80
SCHEMBL8399905 0.80 TSHR (0.33) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107428898-A Polymerizable composition, polymerizable composition, optical component, glass lens and eyeglass 豪雅镜片泰国有限公司 2017-12-01 CN claimed
WO-2024005128-A1 LAYERED BODY, DISPLAY DEVICE, AND MEMBER FOR LAYERED BODY 大日本印刷株式会社 2024-01-04 WO disclosed
CN-116583916-A Method for producing an electrically conductive polyurethane composite material and said material MCD技术有限公司 2023-08-11 CN disclosed
EP-3514189-B1 SOLVENT-FREE MULTICOMPONENT SYSTEM EVONIK OPERATIONS GMBH (DE) 2023-07-26 EP disclosed
US-11318715-B2 Hard coating film and laminate DAI NIPPON PRINTING CO., LTD. (JP) 2022-05-03 US disclosed
US-11043698-B2 Electrolytic solution, electrochemical device, lithium-ion secondary cell, and module DAIKIN INDUSTRIES, LTD. (JP) 2021-06-22 US disclosed
CN-108352570-B Electrolyte solution, electrochemical device, lithium ion secondary battery, and assembly 大金工业株式会社 2021-04-27 CN disclosed
US-20200376803-A1 HARD COATING FILM AND LAMINATE DAI NIPPON PRINTING CO., LTD. (JP) 2020-12-03 US disclosed
EP-3522288-A1 ELECTROLYTIC SOLUTION, ELECTROCHEMICAL DEVICE, LITHIUM-ION SECONDARY CELL, AND MODULE Daikin Industries, Ltd. (JP) 2019-08-07 EP disclosed
CN-104662080-B Water-based blend compositions and methods of making the same 陶氏环球技术有限责任公司 2019-04-02 CN disclosed
CN-103676588-A Image forming apparatus and process cartridge FUJI XEROX CO LTD 2014-03-26 CN disclosed
CN-102498043-A Coated container device, method of making same DOW GLOBAL TECHNOLOGIES INC 2012-06-13 CN disclosed
US-20100310911-A1 BATTERY PACK SONY CORPORATION (JP) 2010-12-09 US disclosed
CN-101908640-A Battery component SONY CORP 2010-12-08 CN disclosed
US-20100028609-A1 Resin molded article and method of manufacturing resin molded article KOMATSU LTD. 2010-02-04 US disclosed
US-6947692-B2 Image forming method and apparatus RICOH COMPANY LIMITED (JP) 2005-09-20 US disclosed
US-20040126147-A1 Image forming method and apparatus RICOH COMPANY LIMITED (JP) 2004-07-01 US disclosed
US-6303711-B1 STABILITY SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-16 US disclosed
US-6130304-A STABILITY, SALT RESISTANCE; USED IN SANITARY MATERIALS AND PAPER DIAPERS, WATER RETAINERS FOR SOIL SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2000-10-10 US disclosed
US-5792583-A COLORANT, BINDER RESIN; HEAT RESISTANCE, FIXING CHARACTERISTICS MINOLTA CO., LTD. (JP) 1998-08-11 US 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-11043698-B2 Electrolytic solution, electrochemical device, lithium-ion secondary cell, and module NHERF1, HCN1, HCN2 TSHR 1263/4885THRB 3216/4885NAAA 2029/4885

“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.