SCHEMBL30288136

SCHEMBL30288136

C[N+](C)(C)CCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.46
CA1 P00915 6/20 0.46
STS P08842 1/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
EPHX1 P07099 1/20 0.38
THRB P10828 1/20 0.37
CA3 P07451 2/20 0.36
CA5A P35218 2/20 0.36
CA5B Q9Y2D0 2/20 0.36
CA12 O43570 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
GAA P10253 1/20 0.34

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
Iodide SCHEMBL28825431 0.98 CA2 (0.45) CA2CA1STSALDH1A1POLB
Hydrochloric Acid SCHEMBL11032715 0.98 CA2 (0.45) CA2CA1STSALDH1A1POLB
SCHEMBL19293663 0.86 ALDH1A1 (0.45) CA2CA1ALDH1A1POLBSMN1; SMN2
SCHEMBL38654870 0.83 CA2 (0.41) CA2CA1STSALDH1A1POLB
Iodide SCHEMBL18916782 0.83 CA2 (0.36) CA2CA1ALDH1A1POLBSMN1; SMN2
SCHEMBL10034057 0.81 EPHX1 (0.50) CA2CA1MEN1KMT2AEPHX1
Iodide SCHEMBL18916953 0.81 ALDH1A1 (0.35) CA2CA1ALDH1A1POLBSMN1; SMN2
SCHEMBL6260269 0.80 CA2 (0.45) CA2CA1STSALDH1A1POLB
SCHEMBL11021321 0.80 CA2 (0.45) CA2CA1STSALDH1A1POLB
SCHEMBL6256434 0.80 ALDH1A1 (0.49) CA2CA1STSALDH1A1POLB

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-20250223199-A1 METHODS OF REMOVING ENVIRONMENTAL CONTAMINANTS UNIV BRITISH COLUMBIA (CA) 2025-07-10 US disclosed
EP-4419228-A1 METHODS OF REMOVING ENVIRONMENTAL CONTAMINANTS The University of British Columbia (CA) 2024-08-28 EP disclosed
WO-2023065039-A1 METHODS OF REMOVING ENVIRONMENTAL CONTAMINANTS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2023-04-27 WO disclosed