⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL496727 | 0.75 | — | — | |
| SCHEMBL3817904 | 0.69 | — | — | |
| SCHEMBL152163 | 0.69 | LTA4H (0.32) | — | |
| SCHEMBL9035709 | 0.67 | NPSR1 (0.48) | — | |
| SCHEMBL1205120 | 0.66 | — | — | |
| SCHEMBL8831007 | 0.65 | — | — | |
| SCHEMBL5496144 | 0.65 | — | — | |
| SCHEMBL11332936 | 0.65 | — | — | |
| SCHEMBL3135209 | 0.65 | — | — | |
| SCHEMBL10719516 | 0.65 | — | — |
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-0780386-B1 | Matrix metalloprotease inhibitors | HOFFMANN LA ROCHE (CH) | 2002-10-02 | — | — | EP | disclosed |
| US-5932595-A | ANTIARTHRITIC AGENT; MULTIPLE SCLEROSIS; OSTEOPOROSIS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTIULCER AGENT | SYNTEX (U.S.A.) INC. (US) | 1999-08-03 | — | — | US | disclosed |
| EP-0780386-A1 | Matrix metalloprotease inhibitors | F. HOFFMANN-LA ROCHE AG (CH) | 1997-06-25 | — | — | EP | disclosed |