Hexane

Hexane

SCHEMBL28307403

CC1=CC(=O)OC1=O.CCCCCC

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
THRB P10828 1/20 0.35
ALOX5 P09917 15/20 0.34
MPEG1 Q2M385 5/20 0.33
CDC25A P30304 3/20 0.33
CDC25B P30305 3/20 0.33
XIAP P98170 2/20 0.33
GPR84 Q9NQS5 2/20 0.33
CDC25C P30307 2/20 0.33
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
PTGES O14684 1/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL20026 0.86
SCHEMBL22654552 0.86 MAPT (0.32) ALDH1A1MAPTGAACDC25ACDC25B
SCHEMBL28106645 0.84
SCHEMBL8578323 0.84
Ethane SCHEMBL27991308 0.84 MAPT (0.31) ALDH1A1MAPTGAACDC25ACDC25B
Ethylene SCHEMBL28090460 0.81 MEN1 (0.30) MAPTMEN1KMT2A
Maleic Anhydride SCHEMBL8044382 0.77 ALDH1A1 (0.31) ALDH1A1CYP2C9HPGDALOX15HSD17B10
SCHEMBL18493689 0.77 APAF1 (0.32) ALDH1A1
SCHEMBL28258554 0.75 ALDH1A1 (0.40) ALDH1A1KDM4EHPGD
SCHEMBL6544586 0.75 ACHE (0.47) ALOX5CDC25ACDC25BGPR84CDC25C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119081644-A Amino hyperbranched polysiloxane modified unsaturated polyimide high-temperature-resistant adhesive and preparation method thereof 南京大学 2024-12-06 CN claimed
CN-118994713-A Vinyl hyperbranched siloxane modified polyimide porous composite material and preparation method thereof 南京大学 2024-11-22 CN claimed
CN-119081644-A Amino hyperbranched polysiloxane modified unsaturated polyimide high-temperature-resistant adhesive and preparation method thereof 南京大学 2024-12-06 CN disclosed
CN-118994713-A Vinyl hyperbranched siloxane modified polyimide porous composite material and preparation method thereof 南京大学 2024-11-22 CN disclosed
CN-117720912-A Solvothermal preparation method of PET-based carbon dot doped and application thereof 北京服装学院 2024-03-19 CN disclosed
CN-110799577-B Polysaccharide-elastomer masterbatch compositions 营养与生物科学美国4公司 2024-03-08 CN disclosed
CN-116157421-A Poly alpha-1, 6-glucan esters and compositions comprising the same 营养与生物科学美国4公司 2023-05-23 CN disclosed
CN-110198958-A Use the method for polysaccharide production winnofil 纳幕尔杜邦公司 2019-09-03 CN disclosed
CN-110167969-A Molded products comprising polysaccharide 纳幕尔杜邦公司 2019-08-23 CN disclosed
CN-109937235-A Rubber composition comprising polysaccharide 纳幕尔杜邦公司 2019-06-25 CN disclosed