⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1165164 | 0.77 | TSHR (0.31) | — | |
| SCHEMBL7424671 | 0.76 | — | — | |
| SCHEMBL1402191 | 0.71 | — | — | |
| SCHEMBL6376880 | 0.69 | TSHR (0.31) | — | |
| SCHEMBL10433116 | 0.69 | — | — | |
| SCHEMBL7952266 | 0.66 | HSD17B10 (0.30) | — | |
| SCHEMBL723667 | 0.66 | DNM1 (0.33) | — | |
| SCHEMBL3163406 | 0.64 | EPHX2 (0.33) | — | |
| SCHEMBL3163694 | 0.64 | EPHX2 (0.33) | — | |
| SCHEMBL6373856 | 0.63 | — | — |
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-5594006-A | SUCH AS COLLEGENASE, STROMELYSIN; ANTICANCER AGENTS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1997-01-14 | — | — | US | disclosed |
| WO-1994021612-A1 | CARBOSTYRIL DERIVATIVES AS MATRIX METALLOPROTEINASES INHIBITORS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1994-09-29 | — | — | WO | disclosed |