Hexane

Hexane

SCHEMBL28089379

CCCCC(CC)C(=O)OOOC(C)(C)C1CCCCC1.CCCCCC

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.44
CA1 P00915 4/20 0.44
MAPK1 P28482 1/20 0.37
GAA P10253 1/20 0.34
XBP1 P17861 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NAAA Q02083 2/20 0.34
PPARG P37231 1/20 0.34
TSHR P16473 1/20 0.33
CTSK P43235 1/20 0.32

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
SCHEMBL94117 0.99 CA2 (0.45) CA2CA1MAPK1GAAXBP1
SCHEMBL29085590 0.92 CA2 (0.40) CA2CA1MAPK1GAAXBP1
SCHEMBL22418817 0.91 CA2 (0.47) CA2CA1MAPK1GAAXBP1
SCHEMBL27526942 0.85 CA2 (0.50) CA2CA1MAPK1GAAXBP1
2-Ethylhexanoic Acid SCHEMBL27535370 0.81 CA2 (0.57) CA2CA1MAPK1PPARG
SCHEMBL29167267 0.81 CA2 (0.33) CA2CA1MAPK1PPARG
SCHEMBL4608949 0.79 NAAA (0.50) MAPK1L3MBTL1NAAA
Dodecane SCHEMBL12472594 0.78 CA2 (0.54) CA2CA1MAPK1GAAXBP1
SCHEMBL37317 0.77 CA2 (0.58) CA2CA1MAPK1GAAXBP1
SCHEMBL29244260 0.76 CA2 (0.46) CA2CA1MAPK1GAAXBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104284907-B Polymer particle containing inorganic phosphor, the manufacture method of the polymer particle containing inorganic phosphor and solar module 日立化成株式会社 2016-09-14 CN disclosed