⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4884875 | 0.85 | CA12 (0.39) | — | |
| SCHEMBL14184267 | 0.82 | — | — | |
| SCHEMBL13685915 | 0.71 | — | — | |
| SCHEMBL4890325 | 0.70 | — | — | |
| SCHEMBL9273551 | 0.70 | CA12 (0.45) | — | |
| SCHEMBL20377316 | 0.67 | — | — | |
| SCHEMBL3807099 | 0.62 | — | — | |
| SCHEMBL427022 | 0.61 | CA12 (0.49) | — | |
| SCHEMBL7082013 | 0.61 | ABCC1 (0.50) | — | |
| SCHEMBL14619294 | 0.60 | ABCB1 (0.30) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080114038-A1 | Drugs Derived from Diclofenac Containing No-Donor Heterocycles, Composition and Method of Inflammation Treatment | PEDRAZZOLI JOSE | 2008-05-15 | — | — | US | disclosed |
| WO-2006042387-A1 | DRUGS DERIVED FROM DICLOFENAC CONTAINING NO-DONOR HETEROCYCLES, COMPOSITION AND METHOD OF INFLAMMATION TREATMENT | CMAX OTIMIZACÃO DE RESULTADOS S C LTDA (BR) | 2006-04-27 | — | — | WO | disclosed |