Octane

Octane

SCHEMBL639987

CCCCCCCC.CCN(CC)CC

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.61
THRB P10828 1/20 0.61
PLA2G1B P04054 1/20 0.50
PLA2G2A P14555 1/20 0.50
DNM1 Q05193 8/20 0.47
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HSD17B10 Q99714 1/20 0.44
SLC22A1 O15245 1/20 0.44

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
Tetradecane SCHEMBL28338948 1.00 TSHR (0.61) TSHRTHRBPLA2G1BPLA2G2ADNM1
Heptane SCHEMBL3084197 1.00 TSHR (0.61) TSHRTHRBPLA2G1BPLA2G2ADNM1
SCHEMBL28338950 1.00 TSHR (0.61) TSHRTHRBPLA2G1BPLA2G2ADNM1
SCHEMBL28521976 1.00 TSHR (0.61) TSHRTHRBPLA2G1BPLA2G2ADNM1
Decane SCHEMBL28273535 1.00 TSHR (0.61) TSHRTHRBPLA2G1BPLA2G2ADNM1
Hexadecane SCHEMBL27942491 1.00 TSHR (0.61) TSHRTHRBPLA2G1BPLA2G2ADNM1
Hexadecane SCHEMBL28295056 0.96 TSHR (0.57) TSHRTHRBPLA2G1BPLA2G2ADNM1
Nonane SCHEMBL5981632 0.96 TSHR (0.57) TSHRTHRBPLA2G1BPLA2G2ADNM1
Hexane SCHEMBL9422173 0.96 TSHR (0.54) TSHRTHRBPLA2G1BPLA2G2ADNM1
Hexane SCHEMBL120948 0.96 TSHR (0.54) TSHRTHRBPLA2G1BPLA2G2ADNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103080121-B Novel process for the preparation of 9-deoxy-9 a-aza-9 a-homoerythromycin A modified at C-4' of the dideoxy methylhexanol ring by an epoxide group Switzerland Novartis Animal Health Co.,Ltd. (CH) 2015-11-25 CN disclosed
CN-103080121-A Novel process for the preparation of 9-deoxy-9 a-aza-9 a-homoerythromycin A modified at C-4' of the dideoxy methylhexanol ring by an epoxide group NOVARTIS AG 2013-05-01 CN disclosed
US-8119195-B2 Mixture containing quaternary ammonium compound and its use AKZO NOBEL N.V. (NL) 2012-02-21 US disclosed
US-20100267874-A1 MIXTURE CONTAINING QUATERNARY AMMONIUM COMPOUND AND ITS USE AKZO NOBEL N.V. (NL) 2010-10-21 US disclosed
CN-1052981-C 1,3,2-phospho heterocyclic octane-novel germicide UNIV CHINA AGRICULTURAL (CN) 2000-05-31 CN disclosed
CN-1154370-A 1,3,2-phospho heterocyclic octane-novel germicide UNIV CHINA AGRICULTURAL (CN) 1997-07-16 CN disclosed