Hexane

Hexane

SCHEMBL971233

CCCCCC.Cl[Ti](Cl)(Cl)Cl

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.58
THRB P10828 1/20 0.58
ALDH1A1 P00352 3/20 0.50
LMNA P02545 3/20 0.50
TDP1 Q9NUW8 1/20 0.47
SLC22A1 O15245 3/20 0.44
SLC22A2 O15244 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DNM1 Q05193 5/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HSD17B10 Q99714 1/20 0.41

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 SCHEMBL1845157 0.96 TSHR (0.67) TSHRTHRBALDH1A1LMNASLC22A1
Decane SCHEMBL4321454 0.96 TSHR (0.67) TSHRTHRBALDH1A1LMNASLC22A1
Pentane SCHEMBL29146102 0.91 TSHR (0.64) TSHRTHRBALDH1A1LMNATDP1
Hexane SCHEMBL268437 0.80
Hexane SCHEMBL357364 0.80 TSHR (0.88) TSHRTHRBALDH1A1LMNASLC22A1
Hexane SCHEMBL5017645 0.80 TSHR (0.88) TSHRTHRBALDH1A1LMNASLC22A1
Hexane SCHEMBL399 0.80
Hexane SCHEMBL11650566 0.80 TSHR (0.88) TSHRTHRBALDH1A1LMNASLC22A1
Hexane SCHEMBL8705498 0.80 TSHR (0.88) TSHRTHRBALDH1A1LMNASLC22A1
Hexane SCHEMBL9859565 0.80 TSHR (0.88) TSHRTHRBALDH1A1LMNASLC22A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101570583-B Mono-cyclopentadienyl titanium catalyst containing phosphate ester ligand and preparation method and application thereof PETROCHINA CO LTD 2011-02-09 CN claimed
CN-101570583-A Mono-cyclopentadienyl titanium catalyst containing phosphate ester ligand and preparation method and application thereof PETROCHINA CO LTD (CN) 2009-11-04 CN claimed
CN-101250238-A Boroxyl half cyclopentadienyl titanium catalyst and preparation method and application thereof PETROCHINA CO LTD (CN) 2008-08-27 CN claimed
CN-118007102-A Complete equipment for synthesizing ALD (atomic layer deposition) material special for electronics 江苏容导半导体科技有限公司 2024-05-10 CN disclosed
CN-113227164-B polyethylene powder 旭化成株式会社 2023-12-19 CN disclosed
WO-2023191080-A1 POLYETHYLENE POWDER AND METHOD FOR PRODUCING SAME, AND OLEFIN POLYMERIZATION CATALYST AND METHOD FOR PRODUCING SAME 旭化成株式会社 2023-10-05 WO disclosed
CN-110892016-B Polyethylene composition 旭化成株式会社 2023-05-23 CN disclosed
WO-2023054642-A1 POLYOLEFIN FILM AND METHOD FOR PRODUCING POLYOLEFIN FILM 旭化成株式会社 2023-04-06 WO disclosed
WO-2023054514-A1 ULTRAHIGH-MOLECULAR-WEIGHT POLYETHYLENE POWDER AND SHAPED OBJECT OBTAINED BY SHAPING SAME 旭化成株式会社 2023-04-06 WO disclosed
CN-115785316-A Method for stopping anti-aging after synthetic rubber polymerization reaction 山东华聚高分子材料有限公司 2023-03-14 CN disclosed
WO-2022270571-A1 POLYETHYLENE POWDER AND MOLDED BODY THEREOF 旭化成株式会社 2022-12-29 WO disclosed
CN-101570583-A Mono-cyclopentadienyl titanium catalyst containing phosphate ester ligand and preparation method and application thereof PETROCHINA CO LTD (CN) 2009-11-04 CN disclosed
CN-101274968-A Composite catalytic for producing polyethylene having wide molecular weight distribution CHINA PETROCHEMICAL CORP (CN) 2008-10-01 CN disclosed
US-20080227936-A1 reacting silica with titanium tetrachloride to obtain a modified carrier, then mixing with a solution of magnesium chloride, filtering, washing, suction and drying, to prepare a composite carriers, used as supports for addition polymerization catalysts, that improve polymer morphology and bulk density YANGZI PETROCHEMICAL COMPANY CO., LTD. (CN) 2008-09-18 US disclosed
CN-101250238-A Boroxyl half cyclopentadienyl titanium catalyst and preparation method and application thereof PETROCHINA CO LTD (CN) 2008-08-27 CN disclosed
CN-1653113-A Cast film, process for production thereof, and bags made of the film SHOWA DENKO PLASTIC PRODUCT CO (JP) 2005-08-10 CN disclosed
CN-1113928-C Process for preparing flame-retarding filler/polyethylene composite material QILU PETROCHEMICAL CO SINOPEC (CN) 2003-07-09 CN disclosed
CN-1359970-A Process for preparing flame-retarding filler/polyethylene composite material QILU PETROCHEMICAL CO CHINA (CN) 2002-07-24 CN disclosed
US-6015916-A REACTING TETRAALKYLCYCLOPENTADIENE WITH ALKALI METAL ALKYL, DIMETHYLSILYL CHLORIDE AND ALKYLAMINE, REACTING PRODUCT WITH ALKALI METAL ALKYL AND METAL TETRACHLORIDE/DIMETHOXYETHANE COMPLEX, REACTING WITH DIENE TO FORM DESIRED PRODUCT BOULDER SCIENTIFIC COMPANY (US) 2000-01-18 US disclosed
CN-1128767-A Block copolymer of propylene and prepn. method thereof SHOWA DENKO KK (JP) 1996-08-14 CN disclosed