⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28238785 | 0.71 | — | — | |
| SCHEMBL293575 | 0.71 | — | — | |
| SCHEMBL2038349 | 0.67 | PNMT (0.35) | — | |
| SCHEMBL3250174 | 0.67 | PNMT (0.35) | — | |
| SCHEMBL17846583 | 0.67 | FDPS (0.44) | — | |
| SCHEMBL22389133 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL31414315 | 0.65 | FDPS (0.43) | — | |
| SCHEMBL3728365 | 0.65 | LTA4H (0.33) | — | |
| Hydrochloric Acid SCHEMBL20768234 | 0.65 | FDPS (0.43) | — | |
| SCHEMBL27476797 | 0.65 | FDPS (0.52) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1228070-A1 | HETEROALKYLAMINO-SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE | F. HOFFMANN-LA ROCHE AG (CH) | 2002-08-07 | — | — | EP | disclosed |
| WO-2001029042-A1 | HETEROALKYLAMINO-SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE | F. HOFFMANN-LA ROCHE AG (CH) | 2001-04-26 | — | — | WO | disclosed |