⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10935311 | 0.59 | — | — | |
| SCHEMBL36385 | 0.56 | — | — | |
| SCHEMBL15054859 | 0.56 | HDAC8 (0.35) | — | |
| SCHEMBL873896 | 0.55 | — | — | |
| SCHEMBL437703 | 0.55 | — | — | |
| SCHEMBL31107108 | 0.55 | — | — | |
| SCHEMBL28667869 | 0.53 | ALDH1A1 (0.40) | — | |
| SCHEMBL28574740 | 0.53 | — | — | |
| SCHEMBL1546339 | 0.51 | — | — | |
| SCHEMBL16703905 | 0.51 | — | — |
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-0802917-B1 | ARYL SUBSTITUTED 5,5 FUSED AROMATIC NITROGEN COMPOUNDS AS ANTI-INFLAMMATORY AGENTS | MERCK FROSST CANADA INC (CA) | 2001-11-07 | — | — | EP | disclosed |
| EP-0802917-A1 | ARYL SUBSTITUTED 5,5 FUSED AROMATIC NITROGEN COMPOUNDS AS ANTI-INFLAMMATORY AGENTS | MERCK FROSST CANADA INC. (CA) | 1997-10-29 | — | — | EP | disclosed |
| WO-1996021667-A1 | ARYL SUBSTITUTED 5,5 FUSED AROMATIC NITROGEN COMPOUNDS AS ANTI-INFLAMMATORY AGENTS | MERCK FROSST CANADA INC. (CA) | 1996-07-18 | — | — | WO | disclosed |