SCHEMBL21986607

SCHEMBL21986607

CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC.O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.44
CA2 P00918 1/20 0.39
FAAH O00519 7/20 0.37
CES1 P23141 6/20 0.37
CES2 O00748 4/20 0.37
CA1 P00915 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 1/20 0.36
GPR84 Q9NQS5 1/20 0.36

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
SCHEMBL21986631 0.98 DNM1 (0.42) DNM1CA2FAAHCES1CES2
SCHEMBL957510 0.88 DNM1 (0.41) DNM1CA2FAAHCES1CES2
Trifluoroacetic Acid SCHEMBL11435310 0.83 DNM1 (0.54) DNM1CA2FAAHCES1CES2
Trifluoroacetic Acid SCHEMBL3777644 0.83 DNM1 (0.54) DNM1CA2FAAHCES1CES2
Trifluoroacetic Acid SCHEMBL3770244 0.81 DNM1 (0.58) DNM1CA2FAAHCES1CES2
Tetrabuthylammonium SCHEMBL9495552 0.79 SLC22A1 (0.40) FAAHCES1CES2MEN1CYP1A2
Tetrabuthylammonium SCHEMBL2184844 0.79 SLC22A1 (0.40) FAAHCES1CES2MEN1CYP1A2
Cetrimonium SCHEMBL10869268 0.78 DNM1 (0.46) DNM1FAAHCES1CES2KMT2A
SCHEMBL20678345 0.77 THRB (0.35) FAAHCES1CES2CA1MEN1
Bicarbonate SCHEMBL28469661 0.76 DNM1 (0.67) DNM1CA2CES1CES2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210079534-A1 METHOD, CELL, AND ELECTROLYTE FOR DINITROGEN CONVERSION MONASH UNIVERSITY (AU) 2021-03-18 US disclosed
EP-3658505-A1 METHOD, CELL AND ELECTROLYTE FOR DINITROGEN CONVERSION Monash University (AU) 2020-06-03 EP disclosed