Hexane

Hexane

SCHEMBL16835583

CC(C)=O.CC1CCCCC1.CCCCCC

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.47
EPHX1 P07099 10/20 0.46
EPHX2 P34913 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP1A2 P05177 1/20 0.43

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
Bicarbonate SCHEMBL6763436 0.89 NAAA (0.50) NAAAEPHX1EPHX2MEN1POLB
Hexane SCHEMBL7972177 0.88 CYP1A2 (0.52) NAAAEPHX1EPHX2MEN1POLB
Cyclohexane SCHEMBL27704196 0.88 CYP1A2 (0.52) NAAAEPHX1EPHX2MEN1POLB
Cyclohexane SCHEMBL27631080 0.88 CYP1A2 (0.52) NAAAEPHX1EPHX2MEN1POLB
Cyclohexane SCHEMBL8575428 0.88 CYP1A2 (0.52) NAAAEPHX1EPHX2MEN1POLB
Heptane SCHEMBL8056393 0.85 CYP1A2 (0.50) NAAAEPHX1EPHX2CYP1A2
Decane SCHEMBL9122050 0.85 CYP1A2 (0.50) NAAAEPHX1EPHX2CYP1A2
Octane SCHEMBL1401728 0.85 CYP1A2 (0.50) NAAAEPHX1EPHX2CYP1A2
Heptane SCHEMBL719492 0.85 CYP1A2 (0.50) NAAAEPHX1EPHX2CYP1A2
Heptane SCHEMBL8847330 0.85 CYP1A2 (0.50) NAAAEPHX1EPHX2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3122841-A2 PI-CONJUGATED SEMICONDUCTIVE ORGANIC GLASS MIXTURES FOR OLED AND OEDS Molecular Glasses, Inc. (US) 2017-02-01 EP disclosed
EP-3083881-A1 MOLECULAR GLASS MIXTURES FOR ORGANIC ELECTRONICS APPLICATIONS Molecular Glasses, Inc. (US) 2016-10-26 EP disclosed
EP-3039487-A1 MOLECULAR GLASS MIXTURES FOR ORGANIC ELECTRONICS APPLICATIONS Molaire Consulting LLC (US) 2016-07-06 EP disclosed
WO-2015148327-A2 PI-CONJUGATED SEMICONDUCTIVE ORGANIC GLASS MIXTURES FOR OLED AND OEDS MOLAIRE CONSULTING LLC (US) 2015-10-01 WO disclosed
WO-2015095859-A1 MOLECULAR GLASS MIXTURES FOR ORGANIC ELECTRONICS APPLICATIONS MOLAIRE CONSULTING LLC (US) 2015-06-25 WO disclosed