Octane

Octane

SCHEMBL8501027

CCCCCCCC.O=C(O)C(O)CO

nearest known ligand 0.68

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Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 8/20 0.68
FFAR1 O14842 1/20 0.68
OR51E2 Q9H255 1/20 0.67
MAPT P10636 1/20 0.48
LCK P06239 1/20 0.48
PPARD Q03181 1/20 0.48
ZDHHC20 Q5W0Z9 1/20 0.48
ZDHHC2 Q9UIJ5 1/20 0.48
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
SLC22A8 Q8TCC7 1/20 0.46

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
Nonane SCHEMBL31606630 1.00 GPR84 (0.68) GPR84FFAR1OR51E2MAPTLCK
SCHEMBL27512019 0.92 GPR84 (0.84) GPR84FFAR1OR51E2MAPTLCK
Stearic Acid SCHEMBL5077915 0.90 GPR84 (0.65) GPR84FFAR1OR51E2MAPTPPARD
Palmitic Acid SCHEMBL27286044 0.90 GPR84 (0.65) GPR84FFAR1OR51E2MAPTPPARD
Behenic Acid SCHEMBL28050584 0.90 GPR84 (0.65) GPR84FFAR1OR51E2MAPTPPARD
Dodecanoate SCHEMBL9346145 0.90 GPR84 (0.65) GPR84FFAR1OR51E2MAPTPPARD
Heptanoate SCHEMBL29098645 0.90 GPR84 (0.65) GPR84FFAR1OR51E2MAPTPPARD
Decanoic Acid SCHEMBL15312724 0.90 GPR84 (0.65) GPR84FFAR1OR51E2MAPTPPARD
Myristic Acid SCHEMBL27382557 0.90 GPR84 (0.65) GPR84FFAR1OR51E2MAPTPPARD
Myristic Acid SCHEMBL8339428 0.90 GPR84 (0.65) GPR84FFAR1OR51E2MAPTPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0589882-B1 CLEANSING COMPOSITIONS PROCTER & GAMBLE (US) 1997-06-25 EP claimed
EP-0702550-A1 PERSONAL CLEANSING SYSTEM COMPRISING A POLYMERIC DIAMOND-MESH BATH SPONGE AND A LIQUID CLEANSER WITH MOISTURIZER THE PROCTER & GAMBLE COMPANY (US) 1996-03-27 EP claimed
WO-1995000116-A2 PERSONAL CLEANSING SYSTEM COMPRISING A POLYMERIC DIAMOND-MESH BATH SPONGE AND A LIQUID CLEANSER WITH MOISTURIZER THE PROCTER & GAMBLE COMPANY (US) 1995-01-05 WO claimed
EP-0947191-A2 Personal cleansing system comprising a polymeric diamond-mesh bath sponge and a liquid cleanser with moisturiser THE PROCTER & GAMBLE COMPANY (US) 1999-10-06 EP disclosed
EP-0702550-B1 PERSONAL CLEANSING SYSTEM COMPRISING A POLYMERIC DIAMOND-MESH BATH SPONGE AND A LIQUID CLEANSER WITH MOISTURIZER PROCTER & GAMBLE (US) 1999-09-08 EP disclosed
EP-0702550-A1 PERSONAL CLEANSING SYSTEM COMPRISING A POLYMERIC DIAMOND-MESH BATH SPONGE AND A LIQUID CLEANSER WITH MOISTURIZER THE PROCTER & GAMBLE COMPANY (US) 1996-03-27 EP disclosed
WO-1995000116-A2 PERSONAL CLEANSING SYSTEM COMPRISING A POLYMERIC DIAMOND-MESH BATH SPONGE AND A LIQUID CLEANSER WITH MOISTURIZER THE PROCTER & GAMBLE COMPANY (US) 1995-01-05 WO disclosed