⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8658634 | 0.82 | CYP2A6 (0.32) | — | |
| SCHEMBL294356 | 0.80 | ALDH1A1 (0.33) | — | |
| SCHEMBL3919235 | 0.78 | ERN1 (0.38) | — | |
| SCHEMBL294569 | 0.75 | CYP2A6 (0.31) | — | |
| SCHEMBL294570 | 0.75 | CYP2A6 (0.31) | — | |
| SCHEMBL537337 | 0.74 | RELA (0.47) | — | |
| SCHEMBL16289466 | 0.74 | — | — | |
| SCHEMBL537336 | 0.74 | RELA (0.47) | — | |
| SCHEMBL6408377 | 0.71 | BCHE (0.30) | — | |
| SCHEMBL6839884 | 0.71 | BCHE (0.30) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100120802-A1 | Novel Anti-Inflammatory and Analgesic Heterocyclic Amidines that Inhibit Nitrogen Oxide (NO) Production | MAKOVEC FRANCESCO | 2010-05-13 | — | — | US | claimed |
| US-20050197331-A1 | Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production | ROTTAPHARM SPA | 2005-09-08 | — | — | US | claimed |
| EP-1571142-A1 | Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production | Rottapharm S.p.A. (IT) | 2005-09-07 | — | — | EP | claimed |
| EP-1571142-B1 | Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production | ROTTAPHARM SPA (IT) | 2012-09-12 | — | — | EP | disclosed |
| US-20100120802-A1 | Novel Anti-Inflammatory and Analgesic Heterocyclic Amidines that Inhibit Nitrogen Oxide (NO) Production | MAKOVEC FRANCESCO | 2010-05-13 | — | — | US | disclosed |
| US-7674809-B2 | Anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production | ROTTAPHARM S.P.A. (IT) | 2010-03-09 | — | — | US | disclosed |
| US-20050197331-A1 | Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production | ROTTAPHARM SPA | 2005-09-08 | — | — | US | disclosed |
| EP-1571142-A1 | Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production | Rottapharm S.p.A. (IT) | 2005-09-07 | — | — | EP | disclosed |