Hexane

Hexane

SCHEMBL4654967

CCCCCC.COCC1CO1.COCC1CO1

nearest known ligand 0.61

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Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
TDP1 Q9NUW8 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.59
TSHR P16473 2/20 0.44
ENPP2 Q13822 3/20 0.41
LPAR2 Q9HBW0 2/20 0.41
MAPK1 P28482 1/20 0.40
EPHX1 P07099 1/20 0.40
SPHK1 Q9NYA1 1/20 0.39

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
Propane SCHEMBL22090164 0.87
SCHEMBL334658 0.87
SCHEMBL30341 0.87
SCHEMBL334659 0.87
SCHEMBL2303875 0.86 SMN1; SMN2 (0.85) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
SCHEMBL6010233 0.86 SMN1; SMN2 (0.85) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
SCHEMBL16809957 0.85 ALDH1A1 (0.50) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
Methane SCHEMBL11336685 0.85
Hexane SCHEMBL268059 0.83 ALDH1A1 (0.76) ALDH1A1TDP1SMN1; SMN2TSHRENPP2
SCHEMBL28167028 0.83 SMN1; SMN2 (0.45) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105339441-B Polymer composition and coating for food and beverage packaging 可口可乐公司 2019-01-08 CN claimed
CN-103314317-B There is in both sides the polaroid of protecting film and include the optics of this polaroid LG化学株式会社 2016-12-07 CN claimed
CN-114045089-A High-solid-content epoxy resin coating and preparation method thereof 武汉工程大学 2022-02-15 CN disclosed
CN-109715355-A Processed porous material 陶氏环球技术有限责任公司 2019-05-03 CN disclosed
CN-107849225-A Amine for the composition epoxy resin of low emission SIKA技术股份公司 2018-03-27 CN disclosed
EP-1259565-B1 SILICA REINFORCED RUBBER COMPOSITIONS OF IMPROVED PROCESSABILITY AND STORAGE STABILITY PIRELLI (IT) 2008-11-26 EP disclosed
US-6822037-B2 BLENDS CONTAINING SILICA AND ELASTOMER; TIRES; MELT PROCESSABILITY, STORAGE STABILITY PIRELLI PNEUMATICI S.P.A. (IT) 2004-11-23 US disclosed
US-6737466-B2 INCREASING CURE RATE BY INCLUDING AN EPOXY COMPOUND, AN ABIETYL COMPOUND, STYRENATED RESORCINOL FORMALDEHYDE EPOXY POLYMER COMPOUND, OR AN ESTER HYDROXYL COMPOUND OF A MOLECULAR WEIGHT BELOW 7,000 PIRELLI PNEUMATICI S.P.A. (IT) 2004-05-18 US disclosed
US-20030187110-A1 Silica reinforced rubber compositions of improved processability and storage stability PIRELLI PNEUMATICI S.P.A. (IT) 2003-10-02 US disclosed
US-20030158317-A1 Silica reinforced rubber compositions of improved processability and storage stability PIRELLI PNEUMATICI S.P.A. (IT) 2003-08-21 US disclosed
EP-1259565-A1 SILICA REINFORCED RUBBER COMPOSITIONS OF IMPROVED PROCESSABILITY AND STORAGE STABILITY PIRELLI PNEUMATICI S.p.A. (IT) 2002-11-27 EP disclosed
US-6482884-B1 Silica reinforced rubber compositions of improved processability and storage stability PIRELLI PNEUMATICI S.P.A. (IT) 2002-11-19 US disclosed
WO-2001064782-A1 SILICA REINFORCED RUBBER COMPOSITIONS OF IMPROVED PROCESSABILITY AND STORAGE STABILITY PIRELLI PNEUMATICI S.P.A. (IT) 2001-09-07 WO disclosed