⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4796005 | 0.81 | — | — | |
| SCHEMBL6111734 | 0.81 | — | — | |
| SCHEMBL9014507 | 0.74 | HMGCR (0.33) | — | |
| SCHEMBL8768660 | 0.70 | CYP3A4 (0.39) | — | |
| SCHEMBL24823151 | 0.70 | ALDH1A1 (0.51) | — | |
| SCHEMBL458512 | 0.69 | PTGS2 (0.39) | — | |
| SCHEMBL8768656 | 0.68 | VCAM1 (0.36) | — | |
| SCHEMBL3688047 | 0.68 | — | — | |
| SCHEMBL28381171 | 0.67 | PTGS2 (0.38) | — | |
| SCHEMBL23906793 | 0.67 | PIM1 (0.39) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0585155-B1 | Trifluoromethylketone derivatives of peptides having HLE inhibiting activity, their preparation and pharmaceutical composition | ADIR (FR) | 1996-12-11 | — | — | EP | claimed |
| US-5565429-A | HUMAN LEUCOCYTE ELASTASE INHIBITORS; EMPHYSEMA; ANTIARTHRITIC AGENTS; RHEUMATIC DISEASES | ADIR ET COMPAGNIE (FR) | 1996-10-15 | — | — | US | claimed |
| EP-0585155-A1 | Trifluoromethylketone derivatives of peptides having HLE inhibiting activity, their preparation and pharmaceutical composition | ADIR ET COMPAGNIE (FR) | 1994-03-02 | — | — | EP | claimed |
| EP-0585155-B1 | Trifluoromethylketone derivatives of peptides having HLE inhibiting activity, their preparation and pharmaceutical composition | ADIR (FR) | 1996-12-11 | — | — | EP | disclosed |
| US-5565429-A | HUMAN LEUCOCYTE ELASTASE INHIBITORS; EMPHYSEMA; ANTIARTHRITIC AGENTS; RHEUMATIC DISEASES | ADIR ET COMPAGNIE (FR) | 1996-10-15 | — | — | US | disclosed |
| EP-0585155-A1 | Trifluoromethylketone derivatives of peptides having HLE inhibiting activity, their preparation and pharmaceutical composition | ADIR ET COMPAGNIE (FR) | 1994-03-02 | — | — | EP | disclosed |