Hexane

Hexane

SCHEMBL42593

CC(C)O.CCCCCC

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.54
THRB P10828 1/20 0.54
LMNA P02545 4/20 0.50
ALDH1A1 P00352 3/20 0.50
SPHK1 Q9NYA1 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
OPRM1 P35372 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GPR84 Q9NQS5 3/20 0.43
FFAR1 O14842 1/20 0.43
CA1 P00915 1/20 0.43

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 SCHEMBL9253671 1.00 TSHR (0.54) TSHRTHRBLMNAALDH1A1SPHK1
Hexane SCHEMBL3725944 1.00 TSHR (0.54) TSHRTHRBLMNAALDH1A1SPHK1
Hexane SCHEMBL15251944 1.00 TSHR (0.54) TSHRTHRBLMNAALDH1A1SPHK1
Hexane SCHEMBL2466815 1.00 TSHR (0.54) TSHRTHRBLMNAALDH1A1SPHK1
Hexane SCHEMBL9301737 1.00 TSHR (0.54) TSHRTHRBLMNAALDH1A1SPHK1
Hexane SCHEMBL23068705 1.00 TSHR (0.54) TSHRTHRBLMNAALDH1A1SPHK1
Hexane SCHEMBL9405694 1.00 TSHR (0.54) TSHRTHRBLMNAALDH1A1SPHK1
Hexane SCHEMBL2244744 1.00 TSHR (0.54) TSHRTHRBLMNAALDH1A1SPHK1
Hexane SCHEMBL9260176 1.00 TSHR (0.54) TSHRTHRBLMNAALDH1A1SPHK1
Hexane SCHEMBL5323113 1.00 TSHR (0.54) TSHRTHRBLMNAALDH1A1SPHK1

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

Appears in 6374 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118131564-A ArF photoresist composition with good adhesion and preparation process thereof 江西中科南新材料科技研发中心有限公司 2024-06-04 CN claimed
CN-118063482-A Compound separated from She Shanhao wide and preparation method and application thereof 湖北中医药大学 2024-05-24 CN claimed
CN-118027060-A Nicandin S containing thionyl desmodium compounds and preparation method and application thereof 皖南医学院 2024-05-14 CN claimed
CN-117947517-A Monocrystalline powder catalytic material, heterojunction composite catalytic material containing monocrystalline powder catalytic material, preparation method and application 南京大学(苏州)高新技术研究院 2024-04-30 CN claimed
CN-117926410-A Single crystal powder catalytic material, porous composite catalytic material containing same, preparation method and application 南京大学(苏州)高新技术研究院 2024-04-26 CN claimed
CN-117924234-A Hydroxy amide alkaloid in piper nigrum, and preparation method and application thereof 沈阳药科大学 2024-04-26 CN claimed
CN-115340512-B Three diaryl butyrolactone lignans compounds in jellyfish herba Saussureae Involueratae, and extraction and separation method and application thereof 中国科学院西北高原生物研究所 2024-03-15 CN claimed
CN-117247390-A Quinazoline alkaloid enantiomer in Polygonum tinctorium, and preparation method and application thereof 中国人民解放军联勤保障部队第九六七医院 2023-12-19 CN claimed
CN-111929392-B Method for analyzing N- (p-toluenesulfonyl) -L-alanyl chloride and enantiomer thereof by pre-column derivatization 吉林医药学院 2023-11-14 CN claimed
CN-116893233-A Method for simultaneously measuring content of soybean oil and medium-chain triglyceride in medium-chain fat emulsion injection 济南辰欣医药科技有限公司 2023-10-17 CN claimed
US-20010039359-A1 Crystalline 1alpha-hydroxyvitamin D2 and method of purification thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2001-11-08 US claimed
EP-1144376-A1 CRYSTALLINE 1$g(a)-HYDROXYVITAMIN D 2? AND METHOD OF PURIFICATION THEREOF WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2001-10-17 EP claimed
WO-2001002352-A1 CRYSTALLINE 1α,24(S)-DIHYDROXYVITAMIN D2 AND METHOD OF PURIFICATION THEREOF WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2001-01-11 WO claimed
WO-2000043361-A1 CRYSTALLINE 1α-HYDROXYVITAMIN D2 AND METHOD OF PURIFICATION THEREOF WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2000-07-27 WO claimed
CN-1258003-A Liquid-phase chromatographic method for separating antimer of trimebutine LANZHOU INST CHEMICOPHYSICS (CN) 2000-06-28 CN claimed
CN-1242761-A Improved process for recovering xanthophylls from corn gluten meal GARGILL INC (US) 2000-01-26 CN claimed
US-5856196-A RESPIRATORY SYSTEM DISORDERS BETH ISRAEL HOSPITAL (US) 1999-01-05 US claimed
US-5847238-A Processes for recovering xanthophylls from corn gluten meal CARGILL, INCORPORATED (US) 1998-12-08 US claimed
CN-1183045-A Dictyotales extract, process for its preparation and compositions containing it TEXINFINE SA (FR) 1998-05-27 CN claimed
CN-1124523-A Filler for high-performance liquid chromatography and method of manufacturing the same DAICEL CHEM (JP) 1996-06-12 CN claimed