Hexane

Hexane

SCHEMBL28061489

CCCCCC.CCCCO.CCOC(C)=O.CO

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
LMNA P02545 3/20 0.61
HSD17B10 Q99714 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
FAAH O00519 1/20 0.43
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ACHE P22303 3/20 0.38

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 SCHEMBL28261498 0.98 ALDH1A1 (0.58) ALDH1A1LMNAHSD17B10SMN1; SMN2TSHR
Ethyl Acetate SCHEMBL27623309 0.98 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10SMN1; SMN2TSHR
Hexane SCHEMBL5393958 0.98 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10SMN1; SMN2TSHR
Heptane SCHEMBL10663246 0.96 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10SMN1; SMN2TSHR
Hexane SCHEMBL5311101 0.96 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10SMN1; SMN2TSHR
Ethyl Acetate SCHEMBL27985868 0.96 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10SMN1; SMN2TSHR
Ethyl Acetate SCHEMBL27564232 0.96 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10SMN1; SMN2TSHR
Ethyl Acetate SCHEMBL29257732 0.96 ALDH1A1 (0.67) ALDH1A1LMNAHSD17B10SMN1; SMN2TSHR
Ethyl Acetate SCHEMBL11027649 0.96 ALDH1A1 (0.67) ALDH1A1LMNAHSD17B10SMN1; SMN2TSHR
Ethyl Acetate SCHEMBL2264348 0.96 ALDH1A1 (0.67) ALDH1A1LMNAHSD17B10SMN1; SMN2TSHR

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-108084026-A A kind of new method of the chlorogenic acid extracting from Cortex Eucommiae 大兴安岭林格贝寒带生物科技股份有限公司 2018-05-29 CN claimed
CN-103059069-B A kind of process of extracting general flavone from wild walking fern Daxing'an Mountainrange Lin Gebei psychrophile Science and Technology Co., Ltd. (CN) 2016-05-25 CN claimed
CN-108892698-B Method for separating compounds in fructus aurantii by using high-speed counter-current chromatography 湖南农业大学 2021-12-31 CN disclosed
CN-108892698-A A method of utilizing compound in high speed adverse current chromatogram separation Fructus Aurantii 湖南农业大学 2018-11-27 CN disclosed
CN-108084026-A A kind of new method of the chlorogenic acid extracting from Cortex Eucommiae 大兴安岭林格贝寒带生物科技股份有限公司 2018-05-29 CN disclosed
CN-103059069-B A kind of process of extracting general flavone from wild walking fern Daxing'an Mountainrange Lin Gebei psychrophile Science and Technology Co., Ltd. (CN) 2016-05-25 CN disclosed