⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6988034 | 0.98 | — | — | |
| SCHEMBL3412865 | 0.82 | LMNA (0.34) | — | |
| SCHEMBL10909537 | 0.65 | — | — | |
| SCHEMBL4809916 | 0.65 | MAPK1 (0.38) | — | |
| SCHEMBL7182131 | 0.62 | MAPT (0.34) | — | |
| SCHEMBL7181858 | 0.61 | MAPT (0.33) | — | |
| SCHEMBL5537603 | 0.61 | — | — | |
| SCHEMBL747211 | 0.61 | — | — | |
| SCHEMBL695794 | 0.60 | ALDH1A1 (0.31) | — | |
| SCHEMBL1900342 | 0.60 | ALDH1A1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1358183-A2 | CYSTEINE PROTEASE INHIBITORS | MEDIVIR AB (SE) | 2003-11-05 | — | — | EP | disclosed |
| WO-2002088106-A2 | CYSTEINE PROTEASE INHIBITORS | MEDIVIR AB (SE) | 2002-11-07 | — | — | WO | disclosed |
| EP-1248787-A2 | NOVEL SUBTITUTED PYRAZOLO[4, 3-E]DIAZEPINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, USE AS MEDICINAL PRODUCTS AND PROCESSES FOR PREPARING THEM | WARNER-LAMBERT COMPANY (US) | 2002-10-16 | — | — | EP | disclosed |
| WO-2001049689-A2 | NOVEL SUBSTITUTED PYRAZOLO[4,3-e]DIAZEPINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, USE AS MEDICINAL PRODUCTS AND PROCESSES FOR PREPARING THEM | WARNER-LAMBERT COMPANY (US) | 2001-07-12 | — | — | WO | disclosed |