SCHEMBL2490397

SCHEMBL2490397

CCCCC(CCCC)CCCCCCCC=CCCCCCCCCN

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 3/20 0.49
DNM1 Q05193 8/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 1/20 0.46
EPHX1 P07099 1/20 0.46
TDP1 Q9NUW8 1/20 0.43
FAAH O00519 2/20 0.42
TRPV1 Q8NER1 1/20 0.42

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
Dectaflur SCHEMBL27786210 0.96 DNM1 (0.52) SLC6A5DNM1ALDH1A1MEN1KMT2A
SCHEMBL10521801 0.96 SLC6A5 (0.52) SLC6A5DNM1ALDH1A1MEN1KMT2A
SCHEMBL7543859 0.96 SLC6A5 (0.52) SLC6A5DNM1ALDH1A1MEN1KMT2A
SCHEMBL2492294 0.92 SLC6A5 (0.46) SLC6A5DNM1ALDH1A1MEN1KMT2A
SCHEMBL9212153 0.88 FAAH (0.47) SLC6A5MEN1KMT2AFAAHTRPV1
SCHEMBL9212166 0.88 FAAH (0.47) SLC6A5MEN1KMT2AFAAHTRPV1
SCHEMBL16671185 0.87 SLC6A5 (0.40) SLC6A5DNM1TSHRTRPV1
SCHEMBL23094021 0.87 DNM1 (0.60) DNM1ALDH1A1MEN1KMT2ATSHR
SCHEMBL21268063 0.87 DNM1 (0.60) DNM1ALDH1A1MEN1KMT2ATSHR
SCHEMBL8592921 0.87 DNM1 (0.60) DNM1ALDH1A1MEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005042675-A2 METHODS FOR INHIBITING HYDRATE BLOCKAGE IN OIL AND GAS PIPELINES USING SIMPLE QUATERNARY AMMONIUM AND PHOSPHONIUM COMPOUNDS CHAMPION TECHNOLOGIES, INC. (US) 2005-05-12 WO claimed
US-20050085676-A1 Methods for inhibiting hydrate blockage in oil and gas pipelines using betaines and amine oxides CHAMPION TECHNOLOGIES, INC. 2005-04-21 US claimed
US-10450402-B2 Polyester polyol-containing polyurethane systems having improved hydrolytic stability EVONIK DEGUSSA GMBH (DE) 2019-10-22 US disclosed
US-20180291137-A1 POLYESTER POLYOL-CONTAINING POLYURETHANE SYSTEMS HAVING IMPROVED HYDROLYTIC STABILITY EVONIK OPERATIONS GMBH (DE) 2018-10-11 US disclosed
US-10023680-B2 Polyester polyol-containing polyurethane systems having improved hydrolytic stability EVONIK DEGUSSA GMBH (DE) 2018-07-17 US disclosed
US-20140100298-A1 Polyester Polyol-Containing Polyurethane Systems Having Improved Hydrolytic Stability AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-04-10 US disclosed
US-8637584-B2 Polyester polyol-containing polyurethane systems having improved hydrolytic stability AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-01-28 US disclosed
EP-1995262-B1 Polyester polyol-containing polyurethane systems having improved hydrolytic stability AIR PROD & CHEM (US) 2011-10-26 EP disclosed
US-20080293841-A1 Polyester Polyol-Containing Polyurethane Systems Having Improved Hydrolytic Stability AIR PRODUCTS AND CHEMICALS, INC. (US) 2008-11-27 US disclosed
EP-1995262-A1 Polyester polyol-containing polyurethane systems having improved hydrolytic stability Air Products and Chemicals, Inc. (US) 2008-11-26 EP disclosed
US-7381689-B2 Methods for inhibiting hydrate blockage in oil and gas pipelines using amide compounds CHAMPION TECHNOLOGIES, INC. (US) 2008-06-03 US disclosed
US-7264653-B2 Methods for inhibiting hydrate blockage in oil and gas pipelines using simple quaternary ammonium and phosphonium compounds CHAMPION TECHNOLOGIES, INC. (US) 2007-09-04 US disclosed
WO-2005042675-A2 METHODS FOR INHIBITING HYDRATE BLOCKAGE IN OIL AND GAS PIPELINES USING SIMPLE QUATERNARY AMMONIUM AND PHOSPHONIUM COMPOUNDS CHAMPION TECHNOLOGIES, INC. (US) 2005-05-12 WO disclosed
US-20050081714-A1 Methods for inhibiting hydrate blockage in oil and gas pipelines using simple quaternary ammonium and phosphonium compounds HARBISON-FISCHER, INC. 2005-04-21 US disclosed
US-20050085675-A1 Methods for inhibiting hydrate blockage in oil and gas pipelines using ester compounds CHAMPION TECHNOLOGIES, INC. 2005-04-21 US disclosed
US-20050085676-A1 Methods for inhibiting hydrate blockage in oil and gas pipelines using betaines and amine oxides CHAMPION TECHNOLOGIES, INC. 2005-04-21 US disclosed
US-20050081432-A1 Methods for inhibiting hydrate blockage in oil and gas pipelines using amide compounds CLARIANT INTERNATIONAL LTD. (CH) 2005-04-21 US disclosed
US-20050085396-A1 Methods for inhibiting hydrate blockage in oil and gas pipelines using amino alcohols and ester compounds CHAMPION TECHNOLOGIES, INC. 2005-04-21 US disclosed