Heptane

Heptane

SCHEMBL730699

CC#N.CCCCCCC

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.61
THRB P10828 1/20 0.61
DNM1 Q05193 6/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HSD17B10 Q99714 1/20 0.44
SLC22A1 O15245 1/20 0.44

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
Heptane SCHEMBL11839960 1.00 TSHR (0.61) TSHRTHRBDNM1ALDH1A1LMNA
Nonane SCHEMBL3803426 1.00 TSHR (0.61) TSHRTHRBDNM1ALDH1A1LMNA
Octane SCHEMBL28685821 1.00 TSHR (0.61) TSHRTHRBDNM1ALDH1A1LMNA
Octane SCHEMBL28423459 1.00 TSHR (0.61) TSHRTHRBDNM1ALDH1A1LMNA
Nonane SCHEMBL29229447 0.96 TSHR (0.57) TSHRTHRBDNM1ALDH1A1LMNA
Octane SCHEMBL28423377 0.96 TSHR (0.57) TSHRTHRBDNM1ALDH1A1LMNA
Hexane SCHEMBL28068650 0.96 TSHR (0.54) TSHRTHRBDNM1ALDH1A1LMNA
Hexane SCHEMBL21801281 0.96 TSHR (0.54) TSHRTHRBDNM1ALDH1A1LMNA
Hexane SCHEMBL232226 0.96
Heptane SCHEMBL906776 0.90 TSHR (0.53) TSHRTHRBDNM1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116554164-A Preparation method of zimetapam 奥锐特药业(天津)有限公司 2023-08-08 CN claimed
WO-2023142857-A1 PREPARATION METHOD FOR RIMEGEPANT 奥锐特药业(天津)有限公司 2023-08-03 WO claimed
CN-117467733-B High chiral purity sitagliptin and method for preparing same by using immobilized transaminase 北京元延医药科技股份有限公司 2024-03-12 CN disclosed
CN-117467733-A High chiral purity sitagliptin and method for preparing same by using immobilized transaminase 北京元延医药科技股份有限公司 2024-01-30 CN disclosed
CN-116646458-A Multilayer coating using immiscible solvent slurries 福特全球技术公司 2023-08-25 CN disclosed
US-20230261176-A1 MULTI-LAYER COATING USING IMMISCIBLE SOLVENT SLURRIES FORD GLOBAL TECHNOLOGIES, LLC (US) 2023-08-17 US disclosed
CN-116554164-A Preparation method of zimetapam 奥锐特药业(天津)有限公司 2023-08-08 CN disclosed
WO-2023142857-A1 PREPARATION METHOD FOR RIMEGEPANT 奥锐特药业(天津)有限公司 2023-08-03 WO disclosed
CN-114945570-A Salts and forms of estrogen receptor modulators 里科瑞尔姆IP控股有限责任公司 2022-08-26 CN disclosed
EP-3687649-A1 SHORT PATH DISTILLATION IN VACUUM FOR ENRICHING NATURAL SUBSTANCES Bionorica Ethics GmbH (DE) 2020-08-05 EP disclosed
CN-111418086-A Catholyte management for solid state membranes 昆腾斯科普公司 2020-07-14 CN disclosed
WO-1985004169-A1 METHOD AND AGENTS FOR MEASURING PROTEIN AGING THE ROCKEFELLER UNIVERSITY (US) 1985-09-26 WO disclosed
US-4535180-A HYPOTENSIVE AGENTS, ANTIULCER AGENTS AMERICAN CYANAMID COMPANY (US) 1985-08-13 US disclosed
US-4444691-A HYPOTENSIVE, ANTIULCER AMERICAN CYANAMID COMPANY (US) 1984-04-24 US disclosed
US-4241221-A HYPOTENSIVE, ANTIULCER AMERICAN CYANAMID COMPANY (US) 1980-12-23 US disclosed
US-4219496-A HYPOTENSIVE AGENTS AND ANTIULCER AGENTS AMERICAN CYANAMID COMPANY (US) 1980-08-26 US disclosed
US-4218565-A HYPOTENSIVE, ANTIULCER AMERICAN CYANAMID COMPANY (US) 1980-08-19 US disclosed
US-4057571-A HYPOTENSIVE, ANTIULCER AMERICAN CYANAMID COMPANY (US) 1977-11-08 US disclosed
US-3997530-A ANALGESIC, ANTIPYRETIC AMERICAN CYANAMID COMPANY (US) 1976-12-14 US disclosed
US-3957805-A TREATMENT OF PAIN, MUSCLE SPASMS, ANXIETY, INFLAMMATION, OR TENSION AMERICAN CYANAMID COMPANY (US) 1976-05-18 US disclosed