SCHEMBL21986603

SCHEMBL21986603

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.42
CA2 P00918 3/20 0.36
CA1 P00915 2/20 0.36
MMP1 P03956 2/20 0.36
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
MMP8 P22894 2/20 0.36
MMP13 P45452 2/20 0.36
KCNH2 Q12809 6/20 0.35
CES1 P23141 4/20 0.34
EPHX1 P07099 1/20 0.33
RECQL P46063 2/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
EPHX2 P34913 1/20 0.32
BLM P54132 1/20 0.32
FAAH O00519 1/20 0.32

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
SCHEMBL21986624 1.00 DNM1 (0.42) DNM1CA2CA1MMP1MMP2
SCHEMBL358624 0.98 DNM1 (0.44) DNM1CA2CA1MMP1MMP2
SCHEMBL4450854 0.97 DNM1 (0.47) DNM1CA2CA1MMP1MMP2
SCHEMBL123514 0.92 DNM1 (0.38) DNM1CA2CA1MMP1MMP2
SCHEMBL23088858 0.85 CA2 (0.33) DNM1CA2CA1MMP1MMP2
SCHEMBL21986582 0.85 CA2 (0.33) DNM1CA2CA1MMP1MMP2
Tetrahexylammonium SCHEMBL28483691 0.83 SLC22A1 (0.42) DNM1CA2CA1MMP1MMP2
Trifluoromethanesulfonic Acid SCHEMBL2761030 0.81 DNM1 (0.54) DNM1KCNH2CES1EPHX1RECQL
Trifluoromethanesulfonic Acid SCHEMBL28987659 0.81 DNM1 (0.54) DNM1KCNH2CES1EPHX1RECQL
Trifluoromethanesulfonic Acid SCHEMBL2865203 0.81 DNM1 (0.54) DNM1KCNH2CES1EPHX1RECQL

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
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
CN-110869319-A Method for dinitrogen conversion, battery and electrolyte 莫纳什大学 2020-03-06 CN disclosed