⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8998693 | 0.76 | — | — | |
| SCHEMBL11148583 | 0.76 | — | — | |
| SCHEMBL11381538 | 0.67 | — | — | |
| SCHEMBL2570122 | 0.63 | — | — | |
| SCHEMBL6891478 | 0.63 | — | — | |
| SCHEMBL31738434 | 0.63 | — | — | |
| SCHEMBL10921963 | 0.63 | — | — | |
| SCHEMBL7050994 | 0.60 | — | — | |
| SCHEMBL8365338 | 0.60 | — | — | |
| SCHEMBL9295250 | 0.60 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0790991-B1 | NOVEL 1,2-DIOXETANE COMPOUNDS WITH HALOALKOXY GROUPS, METHODS OF PREPARATION AND USE | TROPIX INC (US) | 2002-05-29 | — | — | EP | disclosed |
| US-5773628-A | CHEMILUMINESCENT ASSAY OF PHOSPHATASE | TROPIX, INC. (US) | 1998-06-30 | — | — | US | disclosed |
| EP-0790991-A4 | — | — | 1997-09-03 | — | — | EP | disclosed |
| EP-0790991-A1 | NOVEL 1,2-DIOXETANE COMPOUNDS WITH HALOALKOXY GROUPS, METHODS OF PREPARATION AND USE | TROPIX, INC. (US) | 1997-08-27 | — | — | EP | disclosed |
| WO-1996015122-A1 | NOVEL 1,2-DIOXETANE COMPOUNDS WITH HALOALKOXY GROUPS, METHODS OF PREPARATION AND USE | TROPIX, INC. (US) | 1996-05-23 | — | — | WO | disclosed |