Hexane

Hexane

SCHEMBL28031702

CCCCCC.CCCCCO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 1.00
LMNA P02545 4/20 0.92
TSHR P16473 4/20 0.92
ALDH1A1 P00352 2/20 0.92
MEN1 O00255 2/20 0.92
KMT2A Q03164 2/20 0.92
HSD17B10 Q99714 1/20 0.92
THRB P10828 2/20 0.54
DNM1 Q05193 2/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 1/20 0.46
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42

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
1-Pentanol SCHEMBL1330836 1.00
1-Pentanol SCHEMBL29763050 1.00
1-Pentanol SCHEMBL10668 1.00
1-Pentanol SCHEMBL901214 1.00 SMN1; SMN2 (1.00) SMN1; SMN2LMNATSHRALDH1A1MEN1
SCHEMBL25421234 0.96 LMNA (1.00) SMN1; SMN2LMNATSHRALDH1A1MEN1
Cetostearyl Alcohol SCHEMBL20515901 0.96 LMNA (1.00) SMN1; SMN2LMNATSHRALDH1A1MEN1
1-Pentanol SCHEMBL11361296 0.96 LMNA (1.00) SMN1; SMN2LMNATSHRALDH1A1MEN1
Myristyl Alcohol SCHEMBL21352636 0.96 LMNA (1.00) SMN1; SMN2LMNATSHRALDH1A1MEN1
Docosanol SCHEMBL21218972 0.96 LMNA (1.00) SMN1; SMN2LMNATSHRALDH1A1MEN1
Cetyl Alcohol SCHEMBL9819724 0.96 LMNA (1.00) SMN1; SMN2LMNATSHRALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116297935-A Method for determining impurities in vitamin D preparation containing oily matrix by two-dimensional liquid chromatography 广州汇元医药科技有限公司 2023-06-23 CN disclosed
CN-115453033-A Method for detecting content of vitamin D in vitamin D drops 山东达因金控儿童制药有限公司 2022-12-09 CN disclosed
CN-114324648-A Contains vitamin D3The high performance liquid detection method of related substances in the preparation and the preparation method of the test solution 广州朗圣药业有限公司 2022-04-12 CN disclosed
CN-104955546-A Selective activation of adsorbents for gas separation EXXON MOBIL RES & ENG CO 2015-09-30 CN disclosed