Hexane

Hexane

SCHEMBL17255142

CCCCCC.Cl[Si](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 SCHEMBL28068174 0.96 TSHR (0.67) TSHRTHRBALDH1A1LMNASLC22A1
Hexane SCHEMBL28656218 0.87 TSHR (0.54) TSHRTHRBALDH1A1LMNATDP1
Hexane SCHEMBL27605126 0.87 TSHR (0.54) TSHRTHRBALDH1A1LMNATDP1
Hexane SCHEMBL28193950 0.87 TSHR (0.54) TSHRTHRBALDH1A1LMNATDP1
Hexane SCHEMBL23277236 0.84 TSHR (0.50) TSHRTHRBALDH1A1LMNATDP1
Hexane SCHEMBL28667967 0.84 TSHR (0.50) TSHRTHRBALDH1A1LMNATDP1
Hexane SCHEMBL268437 0.80
Hexane SCHEMBL8705498 0.80 TSHR (0.88) TSHRTHRBALDH1A1LMNASLC22A1
Hexane SCHEMBL9859565 0.80 TSHR (0.88) TSHRTHRBALDH1A1LMNASLC22A1
Hexane SCHEMBL11650566 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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116589503-B Iron-phosphorus complex, composite catalyst, syndiotactic 1, 2-polybutadiene, modified rare earth butadiene rubber and preparation method and application thereof 浙江传化合成材料股份有限公司 2024-06-25 CN disclosed
CN-111533961-B Rubber composition for tire and pneumatic tire 住友橡胶工业株式会社 2024-04-05 CN disclosed
CN-116589503-A Iron-phosphorus complex, composite catalyst, syndiotactic 1, 2-polybutadiene, modified rare earth butadiene rubber and preparation method and application thereof 浙江传化合成材料有限公司 2023-08-15 CN disclosed
EP-3763546-B1 PNEUMATIC TIRE SUMITOMO RUBBER IND (JP) 2023-04-26 EP disclosed
EP-3815928-B1 TIRE SUMITOMO RUBBER IND (JP) 2023-01-18 EP disclosed
CN-111087496-B Hydrogenated block copolymer, and preparation method and application thereof 中国石油化工股份有限公司 2023-01-03 CN disclosed
CN-111087560-B Hydrogenated block copolymer, and preparation method and application thereof 中国石油化工股份有限公司 2023-01-03 CN disclosed
CN-109988349-B Rubber composition for tire outer layer and pneumatic tire 住友橡胶工业株式会社 2022-11-08 CN disclosed
CN-112203870-B Tyre for vehicle wheels 住友橡胶工业株式会社 2022-02-25 CN disclosed
CN-109503763-B Butadiene-isoprene copolymer and method for producing same, and aromatic vinyl resin and method for producing same 中国石油化工股份有限公司 2021-11-19 CN disclosed
CN-207958180-U Prepare ethylene and the system of BTX 北京华福工程有限公司 2018-10-12 CN disclosed
CN-107954818-A Prepare ethene and the system and method for BTX 北京华福工程有限公司 2018-04-24 CN disclosed
CN-107722402-A A kind of toughening agent composition and ABS resin and preparation method thereof 中国石油化工股份有限公司 2018-02-23 CN disclosed
CN-107108908-A The preparation method and tire of rubber composition for tire 住友橡胶工业株式会社 2017-08-29 CN disclosed
EP-2944669-B1 RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER IND (JP) 2016-11-02 EP disclosed
CN-105175814-A Rubber composition and pneumatic tire SUMITOMO RUBBER IND 2015-12-23 CN disclosed
US-20150329696-A1 RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER INDUSTRIES LTD. (JP) 2015-11-19 US disclosed
EP-2944669-A1 RUBBER COMPOSITION AND PNEUMATIC TIRE Sumitomo Rubber Industries, Ltd. (JP) 2015-11-18 EP disclosed
CN-104487506-A Rubber composition for tread, and pneumatic tire SUMITOMO RUBBER IND 2015-04-01 CN disclosed
CN-85108910-A Polymerizing catalyst and preparation thereof and use 1986-08-06 CN disclosed