⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27284220 | 0.76 | — | — | |
| SCHEMBL873296 | 0.75 | — | — | |
| SCHEMBL4199271 | 0.73 | ADORA2A (0.36) | — | |
| SCHEMBL24015855 | 0.73 | ACACB (0.39) | — | |
| SCHEMBL2259761 | 0.72 | SIGMAR1 (0.32) | — | |
| SCHEMBL14812912 | 0.72 | — | — | |
| SCHEMBL874395 | 0.72 | — | — | |
| SCHEMBL1646905 | 0.71 | — | — | |
| SCHEMBL28881697 | 0.71 | — | — | |
| SCHEMBL25587395 | 0.69 | NPSR1 (0.40) | — |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100099676-A1 | SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 | SHIONOGI & CO., LTD. (JP) | 2010-04-22 | — | — | US | disclosed |
| EP-2128134-A1 | SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 | Shionogi&Co., Ltd. (JP) | 2009-12-02 | — | — | EP | disclosed |
| US-6140338-A | FOR TREATING ACUTE INFLAMMATORY DISEASES, CHRONIC INFLAMMATORY DISEASES, ACQUIRED IMMUNE DEFICIENCY SYNDROME, CANCER, ISCHEMIC REFLOW DISORDER AND/OR ARTERIOSCLEROSIS | BANYU PHARMACEUTICAL, CO., LTD. (JP) | 2000-10-31 | — | — | US | disclosed |
| EP-0916668-A1 | CHEMOKINE RECEPTOR ANTAGONISTS | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1999-05-19 | — | — | EP | disclosed |