SCHEMBL17833434

SCHEMBL17833434

CCCCC/C=C\C/C=C\CCCCCCCC1=NCCN1CCO

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.40
MGLL Q99685 2/20 0.40
CNR1 P21554 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
TRPV1 Q8NER1 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
ALOX12 P18054 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL195694 0.96 FAAH (0.38) FAAHMGLL
SCHEMBL325970 0.96 FAAH (0.38) FAAHMGLL
SCHEMBL195693 0.96 FAAH (0.38) FAAHMGLL
SCHEMBL196016 0.96 FAAH (0.38) FAAHMGLL
SCHEMBL217512 0.96 FAAH (0.38) FAAHMGLL
Hydrochloric Acid SCHEMBL2207986 0.95 FAAH (0.37) FAAHMGLL
Acetic Acid SCHEMBL8855963 0.90 FAAH (0.39) FAAHMAPTBLMKMT2ATDP1
Acetic Acid SCHEMBL8855984 0.90 FAAH (0.39) FAAHMAPTBLMKMT2ATDP1
SCHEMBL8031349 0.90 FAAH (0.37) FAAHMGLL
Sulfuric Acid SCHEMBL5861488 0.89 PPARA (0.37) FAAHMGLL

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-3230398-B1 LIQUID INHIBITOR COMPOSITION AND A METHOD FOR ITS PREPARATION AND APPLICATION AS A HEAVY BRINE CORROSION CONTROL CLARIANT INT LTD (CH) 2019-08-14 EP disclosed
US-20170342310-A1 Liquid Inhibitor Composition And A Method For Its Preparation And Application As A Heavy Brine Corrosion Control CLARIANT INTERNATIONAL, LTD. (CH) 2017-11-30 US disclosed
US-20170342310-A1 Liquid Inhibitor Composition And A Method For Its Preparation And Application As A Heavy Brine Corrosion Control CLARIANT INTERNATIONAL, LTD. (CH) 2017-11-30 US disclosed
WO-2016092010-A1 LIQUID INHIBITOR COMPOSITION AND A METHOD FOR ITS PREPARATION AND APPLICATION AS A HEAVY BRINE CORROSION CONTROL CLARIANT INTERNATIONAL LTD (CH) 2016-06-16 WO disclosed