Hexane

Hexane

SCHEMBL28456468

CCCCCC.[NaH].[NaH].[NaH].[NaH].[NaH].[NaH].[NaH].[NaH].[NaH].[NaH].[NaH].[NaH].[NaH].[NaH].[NaH].[NaH].[NaH].[NaH]

nearest known ligand 0.78

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.78
THRB P10828 1/20 0.78
LMNA P02545 3/20 0.67
SLC22A1 O15245 3/20 0.54
SLC22A2 O15244 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
DNM1 Q05193 5/20 0.50
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HSD17B10 Q99714 1/20 0.50

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 SCHEMBL584921 1.00
Hexane SCHEMBL1134655 1.00
Pentadecane SCHEMBL9512192 0.94 TSHR (0.89) TSHRTHRBLMNASLC22A1DNM1
SCHEMBL10596554 0.94 TSHR (0.89) TSHRTHRBLMNASLC22A1DNM1
Heptane SCHEMBL8376122 0.94
Decane SCHEMBL10596550 0.94 TSHR (0.89) TSHRTHRBLMNASLC22A1DNM1
Tetradecane SCHEMBL190484 0.94 TSHR (0.89) TSHRTHRBLMNASLC22A1DNM1
Heptane SCHEMBL9289755 0.94 TSHR (0.89) TSHRTHRBLMNASLC22A1DNM1
SCHEMBL22325573 0.94 TSHR (0.89) TSHRTHRBLMNASLC22A1DNM1
Heptane SCHEMBL1134664 0.94

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115607544-A Sacubitril valsartan sodium sustained-release composition, preparation method and application thereof 上海博志研新药物技术有限公司 2023-01-17 CN disclosed
CN-112641742-B Sacubitril valsartan sodium sustained-release tablet and preparation method thereof 南京康川济医药科技有限公司 2022-12-20 CN disclosed
CN-115337278-A Preparation method of pharmaceutical composition containing Sacubitril sodium and valsartan sodium 常州制药厂有限公司 2022-11-15 CN disclosed
CN-107980038-B Calcium salt of Shakuba Trigonella 诺华股份有限公司 2021-04-27 CN disclosed
CN-112641742-A Sacubitril valsartan sodium sustained-release tablet and preparation method thereof 南京康川济医药科技有限公司 2021-04-13 CN disclosed
CN-109265406-B New crystal form of Sacubitril valsartan sodium and preparation method and application thereof 石药集团中奇制药技术(石家庄)有限公司 2020-09-22 CN disclosed