Heptane

Heptane

SCHEMBL219891

CCCCCCC.ClCCl

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.73
THRB P10828 1/20 0.73
ALDH1A1 P00352 3/20 0.71
TDP1 Q9NUW8 1/20 0.57
DNM1 Q05193 6/20 0.50
LMNA P02545 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HSD17B10 Q99714 1/20 0.50
SLC22A1 O15245 1/20 0.50

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
Octane SCHEMBL27279068 1.00 TSHR (0.73) TSHRTHRBALDH1A1TDP1DNM1
Heptane SCHEMBL3346967 1.00 TSHR (0.73) TSHRTHRBALDH1A1TDP1DNM1
Methylene Chloride SCHEMBL29048529 1.00 TSHR (0.73) TSHRTHRBALDH1A1TDP1DNM1
Methylene Chloride SCHEMBL28685517 1.00 TSHR (0.73) TSHRTHRBALDH1A1TDP1DNM1
Heptane SCHEMBL8891016 1.00 TSHR (0.73) TSHRTHRBALDH1A1TDP1DNM1
Hexadecane SCHEMBL9757807 1.00 TSHR (0.73) TSHRTHRBALDH1A1TDP1DNM1
Decane SCHEMBL16931705 1.00 TSHR (0.73) TSHRTHRBALDH1A1TDP1DNM1
Heptane SCHEMBL6588316 1.00 TSHR (0.73) TSHRTHRBALDH1A1TDP1DNM1
Heptane SCHEMBL17666832 1.00 TSHR (0.73) TSHRTHRBALDH1A1TDP1DNM1
Heptane SCHEMBL10579117 1.00 TSHR (0.73) TSHRTHRBALDH1A1TDP1DNM1

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 1682 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118354842-A Janus type spherical cellulose nano-particles 奥克兰理工大学投资有限公司 2024-07-16 CN claimed
CN-117843547-A Synthesis method of semaglutin side chain intermediate 南京乐韬生物科技有限公司 2024-04-09 CN claimed
US-20230399354-A1 PREPARATION METHOD OF 2'-SUBSTITUTED PYRIMIDINE NUCLEOSIDE BEIJING RIBIO PHARMA CO., LTD. (CN) 2023-12-14 US claimed
CN-116836069-A Preparation method of levosalbutamol hydrochloride 山东锐顺药业有限公司 2023-10-03 CN claimed
CN-115210241-B Solid forms of imidazopyrazine citrate 成都倍特药业股份有限公司 2023-09-08 CN claimed
WO-2023138079-A1 PREPARATION METHOD FOR 2'-SUBSTITUTED PYRIMIDINE NUCLEOSIDE 北京瑞博奥医药科技有限公司 2023-07-27 WO claimed
WO-2023084383-A1 JANUS-TYPE SPHERICAL CELLULOSE NANOPARTICLES AUT VENTURES LIMITED (NZ) 2023-05-19 WO claimed
CN-109956954-A A kind of milbemycin oxime intermediate (II) preparation method of high-purity 江苏威凌生化科技有限公司 2019-07-02 CN claimed
CN-108794342-A Ammonium carboxylate salt compound, its crystal form, amorphous substance and preparation method thereof 武汉朗来科技发展有限公司 2018-11-13 CN claimed
WO-2014162230-A1 PROCESS FOR THE PURIFICATION OF NORETHINDRONE AND NORETHINDRONE ACETATE LUPIN LIMITED (IN) 2014-10-09 WO claimed
CN-101092441-A Method for synthesizing nelarabine BENCAOTIANYUAN MEDICINES ACADE (CN) 2007-12-26 CN claimed
US-5985981-A PRIMER FOR ROOFING USING BROMOBUTYL RUBBER, POLYURETHANES AND SOLVENTS BRIDGESTONE/FIRESTONE, INC. (US) 1999-11-16 US claimed
EP-0924278-A1 An elastomeric primer for use with EPDM roofing membranes BRIDGESTONE/FIRESTONE, INC. (US) 1999-06-23 EP claimed
US-5174938-A Adding crosslinking agent to polymer solution, then bonding gel particles to each other or to carrier TOYODA GOSEI CO., LTD. (JP) 1992-12-29 US claimed
CN-118354842-A Janus type spherical cellulose nano-particles 奥克兰理工大学投资有限公司 2024-07-16 CN disclosed
CN-118317677-A Organic electroluminescent device and electronic device 陕西莱特光电材料股份有限公司 2024-07-09 CN disclosed
WO-2024142881-A1 METAL COMPLEX AND ORGANIC ELECTROLUMINESCENT ELEMENT キヤノン株式会社 2024-07-04 WO disclosed
US-4036845-A Novel transient acyl derivatives of phenylbutazone INTERX RESEARCH CORPORATION (US) 1977-07-19 US disclosed
US-4008250-A ANTISECRETORY, ANTIULCER STERLING DRUG INC. (US) 1977-02-15 US disclosed
US-3957803-A CERTAIN TRANSIENT PRO-DRUG FORMS OF PHENYLBUTAZONE INTERX RESEARCH CORPORATION (US) 1976-05-18 US 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-20230399354-A1 PREPARATION METHOD OF 2'-SUBSTITUTED PYRIMIDINE NUCLEOSIDE UMPS, TYMP, DPYD TSHR 4086/4885THRB 4250/4885ALDH1A1 2094/4885

“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.