Octane

Octane

SCHEMBL7106538

CCCCCCCC.COCCOCCOC

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.54
MEN1 O00255 1/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 1/20 0.54
MAPT P10636 1/20 0.54
TSHR P16473 3/20 0.47
CYP3A4 P08684 2/20 0.46
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LPAR3 Q9UBY5 3/20 0.41
LPAR1 Q92633 2/20 0.41
LPAR2 Q9HBW0 2/20 0.41
CA2 P00918 1/20 0.40
CES2 O00748 1/20 0.39
FAAH O00519 1/20 0.39
ABCB11 O95342 1/20 0.38
ADRA2B P18089 1/20 0.38
OPRD1 P41143 1/20 0.38
SCN5A Q14524 1/20 0.38
USP2 O75604 1/20 0.37

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
Decane SCHEMBL4156143 1.00 THRB (0.54) THRBMEN1HTTKMT2AMAPT
Hexane SCHEMBL16223258 0.97 THRB (0.50) THRBMEN1HTTKMT2AMAPT
SCHEMBL23357058 0.95 THRB (0.62) THRBMEN1HTTKMT2AMAPT
SCHEMBL23356956 0.95 THRB (0.62) THRBMEN1HTTKMT2AMAPT
SCHEMBL23357168 0.95 THRB (0.62) THRBMEN1HTTKMT2AMAPT
SCHEMBL23357156 0.95 THRB (0.62) THRBMEN1HTTKMT2AMAPT
SCHEMBL23356875 0.95 THRB (0.62) THRBMEN1HTTKMT2AMAPT
SCHEMBL23356968 0.95 THRB (0.62) THRBMEN1HTTKMT2AMAPT
SCHEMBL23356885 0.95 THRB (0.62) THRBMEN1HTTKMT2AMAPT
SCHEMBL23356914 0.95 THRB (0.62) THRBMEN1HTTKMT2AMAPT

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
EP-0841325-B1 A process for preparing methyl dithiocarbazinate by reacting methyl bromide with the reaction product of carbon disulfide and hydrazine in an aqueous medium BAYER AG (US) 2003-09-17 EP disclosed
US-5877339-A Process for preparing methyl dithiocarbazinate by reacting methyl bromide with the reaction product of carbon disulfide and hydrazine in an aqueous medium BAYER CORPORATION (US) 1999-03-02 US disclosed
EP-0841325-A2 A process for preparing methyl dithiocarbazinate by reacting methyl bromide with the reaction product of carbon disulfide and hydrazine in an aqueous medium Bayer Corporation (US) 1998-05-13 EP disclosed