Hexadecane

Hexadecane

SCHEMBL634764

CCCCCCCCCCCCCCCC.CNC

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
EPHX1 P07099 1/20 0.62
DNM1 Q05193 5/20 0.50
ALDH1A1 P00352 4/20 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
Decane SCHEMBL27438922 1.00 TSHR (0.73) TSHRTHRBEPHX1DNM1ALDH1A1
Dodecane SCHEMBL28275407 1.00 TSHR (0.73) TSHRTHRBEPHX1DNM1ALDH1A1
Tetradecane SCHEMBL8957739 1.00 TSHR (0.73) TSHRTHRBEPHX1DNM1ALDH1A1
Octane SCHEMBL638968 1.00 TSHR (0.73) TSHRTHRBEPHX1DNM1ALDH1A1
Undecane SCHEMBL11852538 1.00 TSHR (0.73) TSHRTHRBEPHX1DNM1ALDH1A1
Dimethylamine SCHEMBL27525398 1.00 TSHR (0.73) TSHRTHRBEPHX1DNM1ALDH1A1
Heptane SCHEMBL5948852 1.00 TSHR (0.73) TSHRTHRBEPHX1DNM1ALDH1A1
Dimethylamine SCHEMBL563086 1.00 TSHR (0.73) TSHRTHRBEPHX1DNM1ALDH1A1
Dodecane SCHEMBL3403004 1.00 TSHR (0.73) TSHRTHRBEPHX1DNM1ALDH1A1
Dimethylamine SCHEMBL28308359 1.00 TSHR (0.73) TSHRTHRBEPHX1DNM1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116510516-A Grafted chloromethylation SEBS pervaporation membrane and preparation method thereof 西安交通大学 2023-08-01 CN claimed
US-8883689-B2 Stabilized herbicidal compositions BAYER CROPSCIENCE LP (US) 2014-11-11 US claimed
CN-102718430-B Mud content inhibitor for concrete doped with polycarboxylic acid type water reducer and preparation method and application method of mud content inhibitor SHANDONG HUAWEI JIANCAI BUILDING MATERIAL CO LTD 2014-04-02 CN claimed
US-20100048401-A1 STABILIZED HERBICIDAL COMPOSITION BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-02-25 US claimed
US-20070129251-A1 Stabilized herbicidal compositions BAYER CROPSCIENCE LP 2007-06-07 US claimed
US-12132169-B2 Corrugated structural zinc batteries having a solid-state electrolyte THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2024-10-29 US disclosed
CN-114539578-B Physical crosslinking type polymer anion exchange membrane and preparation method thereof 北京化工大学 2024-01-09 CN disclosed
CN-116510516-A Grafted chloromethylation SEBS pervaporation membrane and preparation method thereof 西安交通大学 2023-08-01 CN disclosed
CN-114539578-A Physical crosslinking type polymer anion exchange membrane and preparation method thereof 北京化工大学 2022-05-27 CN disclosed
US-20220069349-A1 CORRUGATED STRUCTURAL ZINC BATTERIES HAVING A SOLID-STATE ELECTROLYTE THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2022-03-03 US disclosed
US-8987169-B2 Stabilized herbicidal composition BAYER CROPSCIENCE LP (US) 2015-03-24 US disclosed
US-8883683-B2 Stabilized herbicidal composition BAYER CROPSCIENCE LP (US) 2014-11-11 US disclosed
WO-1996007691-A2 THERMOSETTING RESIN COMPOSITIONS CONTAINING MALEIMIDE AND/OR VINYL COMPOUNDS QUANTUM MATERIALS, INC. (US) 1996-03-14 WO disclosed
EP-0408838-B1 Emulsifiers and explosive emulsions containing same LUBRIZOL CORP (US) 1996-01-17 EP disclosed
CN-1110214-A Foaming method of polyurethane foamed plastics SHEN GUANGXING (CN) 1995-10-18 CN disclosed
CN-1105676-A Foaming prepolymer for polyurethane foamed plastics SHEN GUANGXING (CN) 1995-07-26 CN disclosed
CN-1076437-A Water-in-oil emulsion LUBRIZOL CORP (US) 1993-09-22 CN disclosed
EP-0323163-B1 SHIFT-FEEL DURABILITY ENHANCEMENT ETHYL PETROLEUM ADDITIVES, INC. (US) 1991-05-29 EP disclosed
EP-0323163-A1 Shift-feel Durability enhancement ETHYL PETROLEUM ADDITIVES, INC. (US) 1989-07-05 EP disclosed
US-4795583-A FRICTION MODIFIER FOR AUTOMATIC TRANSMISSION FLUIDS CONTAINING AN ALIPHATIC TERTIARY AMINE, ALIPHATIC DIAMINE AND-OR N-SUBSTITUTED DIALKANOLAMINE ETHYL PETROLEUM ADDITIVES, INC. (US) 1989-01-03 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 (2 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-20070129251-A1 Stabilized herbicidal compositions DDT, PLPBP, HPD TSHR 2037/4885THRB 3154/4885EPHX1 17/4885
US-20100048401-A1 STABILIZED HERBICIDAL COMPOSITION DDT, PLPBP, HPD TSHR 2055/4885THRB 3080/4885EPHX1 20/4885

“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.