Octane

Octane

SCHEMBL6139328

CCCCCCCC.CCCCCCCC.CCCCCCCC.CCCCCCCC.CCCCCCCCNC.CCCCCCCCNC.O=S(=O)(O)OOS(=O)(=O)O

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.62
CA2 P00918 4/20 0.47
CA1 P00915 2/20 0.47
S1PR2 O95136 5/20 0.46
S1PR4 O95977 5/20 0.46
S1PR1 P21453 5/20 0.46
S1PR3 Q99500 5/20 0.46
S1PR5 Q9H228 1/20 0.46
PPARA Q07869 2/20 0.45
CA12 O43570 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 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
SCHEMBL9820362 0.88 EPHX1 (0.62) EPHX1CA2CA1S1PR2S1PR4
SCHEMBL6900990 0.88 EPHX1 (0.62) EPHX1CA2CA1S1PR2S1PR4
SCHEMBL6902266 0.88 EPHX1 (0.62) EPHX1CA2CA1S1PR2S1PR4
SCHEMBL6895971 0.88 EPHX1 (0.62) EPHX1CA2CA1S1PR2S1PR4
SCHEMBL6900968 0.88 EPHX1 (0.62) EPHX1CA2CA1S1PR2S1PR4
SCHEMBL1637970 0.88 EPHX1 (0.62) EPHX1CA2CA1S1PR2S1PR4
Sulfuric Acid SCHEMBL20515715 0.87 EPHX1 (0.75) EPHX1CA2CA1S1PR2S1PR4
Sulfuric Acid SCHEMBL21047520 0.87 EPHX1 (0.75) EPHX1CA2CA1S1PR2S1PR4
Sulfuric Acid SCHEMBL21047518 0.87 EPHX1 (0.75) EPHX1CA2CA1S1PR2S1PR4
SCHEMBL5605567 0.87 EPHX1 (0.75) EPHX1CA2CA1S1PR2S1PR4

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
EP-1273617-B1 Thermosetting mortar having at least two components and method for fixing anchor bars, rebars or the like in a solid support HILTI AG (LI) 2005-11-16 EP disclosed
EP-1273617-A2 Thermosetting mortar having at least two components and method for fixing anchor bars, rebars or the like in a solid support HILTI Aktiengesellschaft (LI) 2003-01-08 EP disclosed
US-6313237-B1 Functionally gradient polymeric materials THE UNIVERSITY OF SOUTHERN MISSISSIPPI 2001-11-06 US disclosed
US-6057406-A Functionally gradient polymeric materials THE UNIVERSITY OF SOUTHERN MISSISSIPPI (US) 2000-05-02 US disclosed