Pentane

Pentane

SCHEMBL6035548

C(OCC1CO1)C1CO1.CCCCC

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.75
ALDH1A1 P00352 6/20 0.69
TDP1 Q9NUW8 1/20 0.69
TSHR P16473 2/20 0.58
MAPK1 P28482 1/20 0.52
ENPP2 Q13822 1/20 0.38
LPAR2 Q9HBW0 1/20 0.38
EPHX1 P07099 1/20 0.37

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 SCHEMBL268059 0.95 ALDH1A1 (0.76) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
Undecane SCHEMBL2029986 0.93 ALDH1A1 (0.80) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
Hexadecane SCHEMBL2069576 0.93 ALDH1A1 (0.80) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL8578760 0.93 ALDH1A1 (0.80) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
Pentadecane SCHEMBL7773050 0.93 ALDH1A1 (0.80) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL7775059 0.93 ALDH1A1 (0.80) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
Tetradecane SCHEMBL22157 0.93 ALDH1A1 (0.80) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
Nonane SCHEMBL3129159 0.93 ALDH1A1 (0.80) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
Heptane SCHEMBL7774936 0.93 ALDH1A1 (0.80) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
Tridecane SCHEMBL2035596 0.93 ALDH1A1 (0.80) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108473609-B Photosensitive composition and compound 株式会社艾迪科 2022-08-30 CN disclosed
CN-109476773-B Curable composition, cured product, and method for producing cured product 株式会社艾迪科 2022-05-13 CN disclosed
CN-112004800-A Oxime ester compound and photopolymerization initiator containing the same 株式会社ADEKA 2020-11-27 CN disclosed
CN-106132929-B Oxime ester compound and photopolymerization initiator containing the same 株式会社艾迪科 2020-06-19 CN disclosed
WO-2006083796-A2 NOVEL COMPOSITION WITH MAGNETIC NANOPARTICLES NANOSET, LLC (US) 2006-08-10 WO disclosed
US-20010020345-A1 Gasoline additive for direct injection gasoline engine NIPPON MITSUBISHI OIL CORPORATION 2001-09-13 US disclosed
EP-1122295-A1 GASOLINE ADDITIVE FOR DIRECT-INJECTION GASOLINE ENGINE Nippon Mitsubishi Oil Corporation (JP) 2001-08-08 EP disclosed
US-5928393-A ESTERIFIED, ALKOXYLATED TERTIARY AMINE COMPOUND; DETERGENT ANTISLUDGE/ANTIDEPOSIT AGENT FOR INTERNAL COMBUSTION ENGINES NIPPON OIL CO., LTD. (JP) 1999-07-27 US disclosed
US-5837016-A ETHERIFIED (POLY)OXYALKYLENE GLYCOL CONTAINING AN AMIDE GROUP; INTERNAL COMBUSTION ENGINE ANTIDEPOSIT AGENTS NIPPON OIL CO., LTD. (JP) 1998-11-17 US disclosed
US-5755833-A URETHANE COMPOUND; ANTIDEPOSIT, ANTISLUDGING AGENT; GASOLINE NIPPON OIL CO., LTD. (JP) 1998-05-26 US disclosed
EP-0819753-A1 Fuel additive NIPPON OIL CO. LTD. (JP) 1998-01-21 EP disclosed
EP-0801128-A1 Fuel additive NIPPON OIL CO. LTD. (JP) 1997-10-15 EP disclosed
EP-0723985-A1 Fuel additive NIPPON OIL CO. LTD. (JP) 1996-07-31 EP disclosed
US-4323453-A EPOXY RESIN CURED WITH AN IMIDAZOLE, HOLLOW FIBERS MONSANTO COMPANY (US) 1982-04-06 US disclosed