Octane

Octane

SCHEMBL27678343

CC(O)S(=O)(=O)O.CCCCCCCC

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.52
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 1/20 0.46
CA2 P00918 3/20 0.45
CA1 P00915 2/20 0.45
GPR84 Q9NQS5 3/20 0.43
PPARA Q07869 2/20 0.43
SPHK1 Q9NYA1 1/20 0.43
FFAR1 O14842 1/20 0.43
FAAH O00519 2/20 0.42

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
Cetostearyl Alcohol SCHEMBL28094788 0.93 LMNA (0.59) TP53LMNAALDH1A1HSD17B10MEN1
1-Hexanol SCHEMBL29111134 0.93 LMNA (0.59) TP53LMNAALDH1A1HSD17B10MEN1
Heptane SCHEMBL2057219 0.86 TP53 (0.60) TP53TSHRCA2CA1GPR84
Tetradecane SCHEMBL3227803 0.86 TP53 (0.60) TP53TSHRCA2CA1GPR84
SCHEMBL9001617 0.83
Tetradecane SCHEMBL99243 0.82 TP53 (0.68) TP53LMNACA2CA1GPR84
Dodecanol SCHEMBL27573175 0.81 LMNA (0.56) TP53LMNAALDH1A1HSD17B10MEN1
Dodecanol SCHEMBL3285087 0.81 LMNA (0.56) TP53LMNAALDH1A1HSD17B10MEN1
Hexane SCHEMBL16583791 0.81 TP53 (0.54) TP53ALDH1A1MEN1KMT2ATSHR
Decane SCHEMBL13275986 0.80 TSHR (0.57) TP53LMNAALDH1A1HSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107109284-A Mixed phosphorus esters for lubricant applications 路博润公司 2017-08-29 CN disclosed
CN-107109281-A Mixed phosphorous esters for lubricant applications 路博润公司 2017-08-29 CN disclosed
CN-101010418-B Additive for lubricating oil IDEMITSU KOSAN CO 2011-07-06 CN disclosed
CN-101010418-A Additive for lubricating oil IDEMITSU KOSAN CO (JP) 2007-08-01 CN disclosed