⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4940413 | 0.78 | BCHE (0.33) | — | |
| SCHEMBL4940382 | 0.76 | SPHK1 (0.32) | — | |
| SCHEMBL4940408 | 0.76 | BCHE (0.33) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL4946534 | 0.69 | CDC25B (0.32) | — | |
| SCHEMBL18101186 | 0.68 | RELA (0.50) | — | |
| SCHEMBL3375968 | 0.67 | BCHE (0.45) | — | |
| SCHEMBL14727238 | 0.67 | HSD11B1 (0.47) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL3370743 | 0.67 | KCNH2 (0.33) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL3370751 | 0.67 | CYSLTR2 (0.33) | — | |
| SCHEMBL14488416 | 0.67 | APP (0.33) | — |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1390664-A4 | MATERIALS, METHODS, AND USES FOR PHOTOCHEMICAL GENERATION OF ACIDS AND/OR RADICAL SPECIES | UNIV ARIZONA (US) | 2008-01-02 | — | — | EP | disclosed |
| EP-1390664-A1 | MATERIALS, METHODS, AND USES FOR PHOTOCHEMICAL GENERATION OF ACIDS AND/OR RADICAL SPECIES | The Arizona Board of Regents (US) | 2004-02-25 | — | — | EP | disclosed |
| WO-2002079691-A1 | MATERIALS, METHODS, AND USES FOR PHOTOCHEMICAL GENERATION OF ACIDS AND/OR RADICAL SPECIES | THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) | 2002-10-10 | — | — | WO | disclosed |