Hexane

Hexane

SCHEMBL59284

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

nearest known ligand 0.78

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.78
LMNA P02545 1/20 0.78
HSD17B10 Q99714 1/20 0.78
FAAH O00519 3/20 0.50
TSHR P16473 3/20 0.48
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NAAA Q02083 1/20 0.44
DGKA P23743 1/20 0.44
CES2 O00748 2/20 0.43
ALOX15 P16050 1/20 0.43
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
CES1 P23141 1/20 0.43
SOAT1 P35610 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 SCHEMBL10002813 1.00 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL318366 1.00 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL15769141 1.00 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL514605 1.00 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL57827 1.00 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL301207 1.00 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL637278 1.00 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL4960168 1.00 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL94686 1.00 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL6720430 1.00 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10FAAHTSHR

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 1145 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103172674-A Chlorpyrifos hapten, chlorpyrifos holoantigen and preparation methods of chlorpyrifos hapten and chlorpyrifos holoantigen INST HYGIENE & ENVIRONMETNAL MEDICINE ACADEMY MILITARY MEDICAL SCIENCES 2013-06-26 CN claimed
CN-118354999-A Pyridazine-1 (6H) -6-oxo compound and preparation method and application thereof 深圳信立泰药业股份有限公司 2024-07-16 CN disclosed
CN-118304295-A Pharmaceutical composition of endothelin A (ETA) receptor antagonist compound and application thereof 深圳信立泰药业股份有限公司 2024-07-09 CN disclosed
CN-113330001-B 3, 3-Difluoroallylamine or salt thereof and pharmaceutical composition comprising the same 柳韩洋行 2024-07-02 CN disclosed
WO-2024128305-A1 2-AZABICYCLO[3.1.1]HEPTANE COMPOUND 第一三共株式会社 2024-06-20 WO disclosed
CN-112135830-B Oxo-substituted compounds 住友制药株式会社 2024-06-14 CN disclosed
CN-118109522-A Method for preparing paricalcitol by utilizing microbial fermentation 南京海融制药有限公司 2024-05-31 CN disclosed
CN-115108955-B Separation and purification method of calcitriol related impurity PZB 南京海融制药有限公司 2024-05-07 CN disclosed
CN-115057804-B Calcitriol purification method 南京海融制药有限公司 2024-03-29 CN disclosed
US-11940704-B2 Organic compound, and electrochromic element, optical filter, image pickup apparatus, window, and electrochromic mirror containing the same CANON KABUSHIKI KAISHA (JP) 2024-03-26 US disclosed
CN-88100804-A Substituted amine derivatives, their preparation and use 1988-08-24 CN disclosed
EP-0278621-A1 Substituted amine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-08-17 EP disclosed
US-4764605-A Process for selectively deacetylating acetyl derivatives of saccharides DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1988-08-16 US disclosed
EP-0268377-A2 Glutamic acid derivatives, processes and intermediates for their preparation and pharmaceutical formulations containing them THE WELLCOME FOUNDATION LIMITED (GB) 1988-05-25 EP disclosed
US-4737518-A ANTIALLERGENS, ANTINEOPLASTICS, ANTICOAGULANTS, CIRCULATORY DISEASES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-04-12 US disclosed
EP-0232776-A2 2,5,6,7-tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES, INC. (JP) 1987-08-19 EP disclosed
EP-0157609-A2 Lipid derivatives their production and use Takeda Chemical Industries, Ltd. (JP) 1985-10-09 EP disclosed
EP-0135194-A1 Azetidinones and their production Takeda Chemical Industries, Ltd. (JP) 1985-03-27 EP disclosed
EP-0045524-B1 22-ARYLSULFONYL-24,25-DIHYDROXYCHOLESTANES AND PROCESS FOR PREPARING THE SAME Chugai Seiyaku Kabushiki Kaisha (JP) 1983-10-19 EP disclosed
EP-0069373-A1 (5R, 6R)-Penem compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1983-01-12 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11940704-B2 Organic compound, and electrochromic element, optical filter, image pickup apparatus, window, and electrochromic mirror containing the same EML4, ARL1, APOL1 ALDH1A1 2783/4885LMNA 2038/4885HSD17B10 4390/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.