SCHEMBL21522541

SCHEMBL21522541

O=S(=O)([O-])c1cc(C(F)(F)F)cc(C(F)(F)F)c1.O=S(=O)([O-])c1cc(C(F)(F)F)cc(C(F)(F)F)c1.O=S(=O)([O-])c1cc(C(F)(F)F)cc(C(F)(F)F)c1.[In+3]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.46
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HIF1A Q16665 1/20 0.39
TXNRD1 Q16881 1/20 0.39
TXNRD3 Q86VQ6 1/20 0.39
TXNRD2 Q9NNW7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
Lithium Ion SCHEMBL9617535 0.95 CES2 (0.46) CES2MAPTNPSR1LMNAPOLB
SCHEMBL21522648 0.95 CES2 (0.46) CES2MAPTNPSR1LMNAPOLB
SCHEMBL21522571 0.95 CES2 (0.46) CES2MAPTNPSR1LMNAPOLB
SCHEMBL28713750 0.95 CES2 (0.46) CES2MAPTNPSR1LMNAPOLB
Tetramethylammonium Ion SCHEMBL5493899 0.90 CES2 (0.42) CES2MAPTNPSR1LMNAPOLB
SCHEMBL13277682 0.82 NOTUM (0.44) CES2MAPTLMNACA1CA2
SCHEMBL5410156 0.82 MAPT (0.46) CES2MAPTLMNAGAACA1
SCHEMBL5404772 0.80 MAPT (0.44) MAPTNPSR1LMNAGAACA1
SCHEMBL6285456 0.79 CNR2 (0.39) MAPTNPSR1LMNAPOLBGAA
SCHEMBL5398553 0.79 FFAR1 (0.47) MAPTNPSR1LMNAPOLBGAA

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
US-10766982-B2 Cationic polymerization of olefins using green acids LEWIS STEWART P (US) 2020-09-08 US claimed
US-20190330395-A1 CATIONIC POLYMERIZATION OF OLEFINS USING GREEN ACIDS LEWIS STEWART P (US) 2019-10-31 US claimed
US-10766982-B2 Cationic polymerization of olefins using green acids LEWIS STEWART P (US) 2020-09-08 US disclosed
US-20190330395-A1 CATIONIC POLYMERIZATION OF OLEFINS USING GREEN ACIDS LEWIS STEWART P (US) 2019-10-31 US disclosed