Hexane

Hexane

SCHEMBL2687900

CC(C)O.CCCCCC.CO

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
THRB P10828 1/20 0.50
SPHK1 Q9NYA1 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 4/20 0.46
ALDH1A1 P00352 3/20 0.46
OPRM1 P35372 1/20 0.45
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GPR84 Q9NQS5 3/20 0.42
FFAR1 O14842 1/20 0.42
CA1 P00915 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
Hexane SCHEMBL28626892 0.96 TSHR (0.47) TSHRTHRBSPHK1SMN1; SMN2LMNA
Heptane SCHEMBL652606 0.96 TSHR (0.57) TSHRTHRBSPHK1SMN1; SMN2LMNA
Hexane SCHEMBL9260176 0.96 TSHR (0.54) TSHRTHRBSPHK1SMN1; SMN2LMNA
Hexane SCHEMBL9253671 0.96 TSHR (0.54) TSHRTHRBSPHK1SMN1; SMN2LMNA
Hexane SCHEMBL3725944 0.96 TSHR (0.54) TSHRTHRBSPHK1SMN1; SMN2LMNA
Hexane SCHEMBL23068705 0.96 TSHR (0.54) TSHRTHRBSPHK1SMN1; SMN2LMNA
Hexane SCHEMBL9405694 0.96 TSHR (0.54) TSHRTHRBSPHK1SMN1; SMN2LMNA
Hexane SCHEMBL42593 0.96 TSHR (0.54) TSHRTHRBSPHK1SMN1; SMN2LMNA
Hexane SCHEMBL2244744 0.96 TSHR (0.54) TSHRTHRBSPHK1SMN1; SMN2LMNA
Hexane SCHEMBL9301737 0.96 TSHR (0.54) TSHRTHRBSPHK1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110967431-A Method for determining D-captopril and captopril related substance 8 in captopril tablets by high performance liquid chromatography 上海普康药业有限公司 2020-04-07 CN claimed
CN-106645528-B A kind of high-efficiency liquid chromatography method for detecting of ticagrelor chiral isomer content 成都欣捷高新技术开发股份有限公司 2018-08-31 CN claimed
CN-106645528-A High performance liquid chromatography detection method of content of chiral isomers of ticagrelor 成都欣捷高新技术开发股份有限公司 2017-05-10 CN claimed
CN-104569262-A Method for simultaneously determining contents of alpha-tocopherol and squalene in multiple vegetable oils GUANGZHOU HANFANG PHARMACEUTICAL CO LTD 2015-04-29 CN claimed
CN-103728395-B Content measurement method for cholesterol in egg yolk oil GUANGZHOU HANFANG PHARMACEUTICAL CO LTD 2014-12-17 CN claimed
EP-1968916-B1 Process for the separation of optical isomers of the corey lactone CHINOIN GYOGYSZER ES VEGYESZET (HU) 2012-07-11 EP claimed
US-20120108630-A1 Hedgehog Pathway Antagonists and Methods of Use THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-05-03 US claimed
CN-117630260-A Method for detecting isomer in aryl propionic acid compound 南京海融医药科技股份有限公司 2024-03-01 CN disclosed
WO-2023094830-A1 SULFONAMIDE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS LARIO THERAPEUTICS LIMITED (GB) 2023-06-01 WO disclosed
CN-115791995-A Detection method of esomeprazole sodium isomer for injection 宜昌东阳光长江药业股份有限公司 2023-03-14 CN disclosed
CN-112697906-B Method for detecting chiral intermediate and enantiomer of tofacitinib 上海博悦生物科技有限公司 2022-09-13 CN disclosed
CN-114073669-A Gel containing aryl propionic acid compound 南京海融医药科技股份有限公司 2022-02-22 CN disclosed
CN-112697906-A Method for detecting chiral intermediate and enantiomer of tofacitinib 上海博悦生物科技有限公司 2021-04-23 CN disclosed
EP-0614456-B1 1ALPHA,24(S)-DIHYDROXY VITAMIN D2, ITS FORMATION AND USE BONE CARE INT INC (US) 1999-06-09 EP disclosed
US-5801222-A Isolation and structure of the human cancer cell growth inhibitory cyclic octapeptides phakellistatin 10 and 11 ARIZONA BOARD OF REGENTS ACTING ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 1998-09-01 US disclosed
US-5426194-A Isolation and structure of Halistatin 1 ARIZONA BOARD OF REGENTS, A BODY CORPORATE ACTING ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 1995-06-20 US disclosed
EP-0614456-A4 1-g(a),24(S)-DIHYDROXY VITAMIN D 2?, ITS FORMATION AND USE. LUNAR CORP (US) 1995-01-04 EP disclosed
EP-0614456-A1 1$g(a),24(S)-DIHYDROXY VITAMIN D 2?, ITS FORMATION AND USE BONE CARE INTERNATIONAL, INC. (US) 1994-09-14 EP disclosed
EP-0608108-A1 Isolation and structure of halistatin 1, and its use as an anti-tumor agent ARIZONA BOARD OF REGENTS (US) 1994-07-27 EP disclosed
WO-1994005630-A1 1α,24(S)-DIHYDROXY VITAMIN D2, ITS FORMATION AND USE LUNAR CORPORATION (US) 1994-03-17 WO 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-20120108630-A1 Hedgehog Pathway Antagonists and Methods of Use SHH, GLI1, SMO TSHR 1341/4885THRB 484/4885SPHK1 2056/4885

“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.