⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6897904 | 0.87 | MMP2 (0.32) | — | |
| SCHEMBL27538419 | 0.85 | MMP1 (0.31) | — | |
| SCHEMBL6898910 | 0.80 | MMP1 (0.46) | — | |
| SCHEMBL6894683 | 0.79 | MMP2 (0.39) | — | |
| SCHEMBL6897197 | 0.77 | MMP1 (0.51) | — | |
| SCHEMBL6890608 | 0.77 | MME (0.39) | — | |
| Hydrochloric Acid SCHEMBL6889416 | 0.76 | MME (0.38) | — | |
| SCHEMBL6891080 | 0.76 | MMP1 (0.44) | — | |
| SCHEMBL6899177 | 0.75 | MMP1 (0.48) | — | |
| SCHEMBL27560023 | 0.75 | MMP1 (0.48) | — |
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-6730784-B2 | AS THERAPEUTIC AGENTS FOR AUTOIMMUNE DISEASES SUCH AS RHEUMATOID ARTHRITIS | SANTEN PHARMACEUTICAL CO., LTD. (JP) | 2004-05-04 | — | — | US | disclosed |
| US-20020198376-A1 | Novel urea derivatives | SANTEN PHARMACEUTICAL CO., LTD. (JP) | 2002-12-26 | — | — | US | disclosed |
| US-6492370-B1 | Urea derivatives and pharmaceutical compositions thereof | SANTEN PHARMACEUTICAL CO., LTD. (JP) | 2002-12-10 | — | — | US | disclosed |
| EP-1072591-A1 | NOVEL UREA DERIVATIVES | SANTEN PHARMACEUTICAL CO., LTD. (JP) | 2001-01-31 | — | — | EP | disclosed |