Hexane

Hexane

SCHEMBL120684

CCCCCC.CO.ClC(Cl)Cl

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.50
THRB P10828 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 4/20 0.44
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
DNM1 Q05193 1/20 0.40
SLC22A1 O15245 2/20 0.39
SLC22A2 O15244 1/20 0.39
OPRM1 P35372 1/20 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 SCHEMBL27710370 0.96 TSHR (0.47) TSHRTHRBSMN1; SMN2LMNAALDH1A1
Hexane SCHEMBL15007841 0.96 TSHR (0.47) TSHRTHRBSMN1; SMN2LMNAALDH1A1
Heptane SCHEMBL308955 0.96 TSHR (0.57) TSHRTHRBSMN1; SMN2LMNAALDH1A1
Heptane SCHEMBL11008818 0.93 TSHR (0.53) TSHRTHRBSMN1; SMN2LMNAALDH1A1
Hexane SCHEMBL55152 0.92 TSHR (0.58) TSHRTHRBSMN1; SMN2LMNAALDH1A1
Hexane SCHEMBL4333874 0.92 TSHR (0.58) TSHRTHRBSMN1; SMN2LMNAALDH1A1
Hexane SCHEMBL4325387 0.92 TSHR (0.58) TSHRTHRBSMN1; SMN2LMNAALDH1A1
Hexane SCHEMBL3782949 0.92 TSHR (0.58) TSHRTHRBSMN1; SMN2LMNAALDH1A1
Hexane SCHEMBL4330650 0.92 TSHR (0.58) TSHRTHRBSMN1; SMN2LMNAALDH1A1
Hexane SCHEMBL9244722 0.92 TSHR (0.58) TSHRTHRBSMN1; SMN2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117018068-A Preparation process and quality detection method of musk Xintongning dripping pills 山东宏济堂制药集团股份有限公司 2023-11-10 CN claimed
CN-110433150-A Acetylshikonin prevents and treats the application in colon cancer drug in preparation CHINA US HENAN HORMEL CANCER INST 2019-11-12 CN claimed
CN-110302232-A A kind of application extracting the method for separating alkanet effective component and its extract and inhibiting in Growth of Colon Cancer Cells drug in preparation 中美(河南)荷美尔肿瘤研究院 2019-10-08 CN claimed
CN-110269852-A β, beta-dimethyl-acry-lalkannin application in preparation of anti-tumor drugs 中美(河南)荷美尔肿瘤研究院 2019-09-24 CN claimed
CN-105749154-B A kind of probiotics fermention Traditional Chinese medicine compound composition that treating liver cancer and its preparation and detection method 三株福尔制药有限公司 2019-08-06 CN claimed
CN-109342582-A Stop cough particle method of quality control 广西中医药大学附属瑞康医院 2019-02-15 CN claimed
CN-105749154-A Probiotic fermented traditional Chinese medicine compound composition for treating liver cancer and preparation and detection methods thereof 三株福尔制药有限公司 2016-07-13 CN claimed
CN-105061150-A Novel diterpenoid alcohol, as well as preparation method and application thereof UNIV HEBEI SCIENCE & TECH 2015-11-18 CN claimed
CN-102526615-B Traditional Chinese medicine composition for treating breast diseases and preparation method and application thereof QUJING DEV ZONE GREEKANG BIOTECHNOLOGY DEV CO LTD 2013-08-14 CN claimed
CN-102998410-A Blood nourishing and brain arousing particle quality detection method TASLY PHARMACEUTICAL GROUP CO 2013-03-27 CN claimed
CN-1768854-A Chinese medicinal capsule with spleen-supplementing, intestine-benefiting function SANJIU MEDICAL & PHARMACEUTICA (CN) 2006-05-10 CN claimed
CN-1248718-C Medicinal composition for treating mycoplasma pneumonia and preparation method and quality-control method HEILINGJIANG ACADEMY OF TRADIT (CN) 2006-04-05 CN claimed
CN-1730025-A Pharmaceutical composition for treating gastritis, gastric ulcer and doudenal ulcer QINGDAO GROWFUL PHARMACEUTICAL (CN) 2006-02-08 CN claimed
CN-1689626-A Traditional Chinese medicine compound recipe for treating hyperplasia of mammary glands and preparation method thereof BEIJING RONGCHANG PHARMACEUTIC (CN) 2005-11-02 CN claimed
CN-1682969-A Medicinal composition and its preparing method and quality control method SANJIN PHARMACEUTICAL CO LTD G (CN) 2005-10-19 CN claimed
CN-1634210-A Chinese medicine for treating cervical spondylopathy and preparation method thereof ZHANG HONG (CN) 2005-07-06 CN claimed
CN-1611231-A Chinese medicinal composition for treating endometriosis menstrual ab dominal pain and its preparing method YABAO PHARMACENTICAL GROUP CO (CN) 2005-05-04 CN claimed
CN-1566054-A Resveratrol oligo cattail compounds, its manufacturing process, pharmaceutical combination and uses thereof INST MATERIA MEDICA CAMS (CN) 2005-01-19 CN claimed
CN-1457852-A A Chinese medicinal composition for treating traumatic injury and pain in chest and hypochondrium, and its preparation method JU XIAOPING (CN) 2003-11-26 CN claimed
CN-1437982-A Medicinal composition for treating mycoplasma pneumonia and preparation method and quality-control method HEILINGJIANG PROV INST OF TRAD (CN) 2003-08-27 CN claimed