Octane

Octane

SCHEMBL7266397

CCCCCCCC.Nc1cc(N)cc(C(=O)O)c1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.56
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
RARB P10826 4/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
PLA2G4B P0C869 1/20 0.46
MEN1 O00255 1/20 0.46
RARA P10276 1/20 0.46
MTOR P42345 1/20 0.46
KMT2A Q03164 1/20 0.46
TPMT P51580 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
Butane SCHEMBL6727426 0.85 TPMT (0.50) PLA2G2ATP53ALDH1A1MAPTMEN1
Ethylene SCHEMBL29067595 0.83 ALDH1A1 (0.61) PLA2G2ATSHRALDH1A1MAPTNPC1
Heptane SCHEMBL29220036 0.83 PLA2G2A (0.63) PLA2G2ATP53TSHRRARBALDH1A1
Hexane SCHEMBL29263834 0.83 PLA2G2A (0.62) PLA2G2ATP53TSHRRARBALDH1A1
SCHEMBL109155 0.82 KDM4E (0.56) TP53TSHRALDH1A1MAPTMEN1
SCHEMBL9417546 0.82 ALDH1A1 (0.64) PLA2G2ATSHRALDH1A1MAPTNPC1
SCHEMBL9172064 0.82 ALDH1A1 (0.64) PLA2G2ATSHRALDH1A1MAPTNPC1
SCHEMBL5695822 0.82 HCAR3 (0.46) PLA2G2AALDH1A1MAPT
SCHEMBL5695832 0.82 HCAR3 (0.46) PLA2G2AALDH1A1MAPT
SCHEMBL5695791 0.82 HCAR3 (0.46) PLA2G2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6642393-B2 Such as 2,5-(dihydroxybenzenecarboxylic octane)-dibenzoate-3,3',4,4' -tetracarboxylic acid anhydride for producing polyimides or polyamic acides having low water absorption; for use in cosmetics, aeronautics, and electronics KANEKA CORPORATION (JP) 2003-11-04 US disclosed
US-20020055610-A1 Novel polyimide compositions and novel acid dianhydrides to be used therein KANEKA CORPORATION (JP) 2002-05-09 US disclosed
US-6350845-B1 POLYAMIDEIMIDE COPOLYMERS FOR NONABSORBENT HEAT RESISTANT COMPOSITIONS KANEKA CORPORATION (JP) 2002-02-26 US disclosed