SCHEMBL31040586

SCHEMBL31040586

O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.38
CA1 P00915 2/20 0.38
MMP1 P03956 2/20 0.38
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
MMP8 P22894 2/20 0.38
MMP13 P45452 2/20 0.38
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
F2 P00734 2/20 0.34
PRSS1 P07477 2/20 0.34
PRSS2 P07478 2/20 0.34
PRSS3 P35030 2/20 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
Fluoride SCHEMBL27695159 0.97 CA2 (0.37) CA2CA1MMP1MMP2MMP9
SCHEMBL31261896 0.97 CA2 (0.37) CA2CA1MMP1MMP2MMP9
SCHEMBL714854 0.89 CA2 (0.44) CA2CA1MMP1MMP2MMP9
SCHEMBL716291 0.89 CA2 (0.44) CA2CA1MMP1MMP2MMP9
SCHEMBL715981 0.89 CA2 (0.44) CA2CA1MMP1MMP2MMP9
SCHEMBL713729 0.89 CA2 (0.44) CA2CA1MMP1MMP2MMP9
SCHEMBL716687 0.89 CA2 (0.44) CA2CA1MMP1MMP2MMP9
SCHEMBL2500519 0.86 CA2 (0.42) CA2CA1MMP1MMP2MMP9
SCHEMBL714652 0.86 ALDH1A1 (0.43) CA2CA1MMP1MMP2MMP9
SCHEMBL6283883 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025072343-A1 METHODS FOR THE DESTRUCTION OF POLYFLUORINATED ORGANIC COMPOUNDS CYCLOPURE, INC. (US) 2025-04-03 WO disclosed
US-12186737-B2 Regeneration of polymeric cyclodextrin adsorbents CYCLOPURE, INC. (US) 2025-01-07 US disclosed
US-20240293801-A1 REGENERATION OF POLYMERIC CYCLODEXTRIN ADSORBENTS AVENUE GLOBAL DISLOCATION OPPORTUNITIES FUND, L.P. AND AVENUE GLOBAL OPPORTUNITIES MASTER FUND, L.P. 2024-09-05 US disclosed
EP-4419249-A1 REGENERATION OF POLYMERIC CYCLODEXTRIN ADSORBENTS Cyclopure, Inc. (US) 2024-08-28 EP disclosed
WO-2024151850-A1 REGENERATION OF POLYMERIC CYCLODEXTRIN ADSORBENTS CYCLOPURE, INC. (US) 2024-07-18 WO disclosed