⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6977557 | 1.00 | — | — | |
| SCHEMBL6981320 | 0.83 | PTGER3 (0.32) | — | |
| SCHEMBL6981314 | 0.83 | PTGER3 (0.32) | — | |
| SCHEMBL6977929 | 0.82 | — | — | |
| SCHEMBL6974780 | 0.79 | PARP1 (0.38) | — | |
| SCHEMBL6974783 | 0.79 | PARP1 (0.38) | — | |
| SCHEMBL8390200 | 0.77 | NPC1 (0.32) | — | |
| SCHEMBL6979691 | 0.76 | MAPT (0.49) | — | |
| SCHEMBL6979689 | 0.76 | MAPT (0.49) | — | |
| SCHEMBL6970192 | 0.75 | MAPT (0.48) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0821674-B1 | CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | SEARLE & CO (US) | 2003-08-06 | — | — | EP | disclosed |
| US-6043261-A | TREATMENT OF INFLAMMATORY CONDITIONS AFFECTING THE JOINTS, FOR EXAMPLE ARTHRITIS, INFLAMMATORY BOWEL DISEASE, CARDIOVASCULAR ISCHEMIA, DIABETES, HYPERALGESIA, CEREBRAL ISCHEMIA, THROMBOTIC STROKE, GLOBAL ISCHEMIA, NERVOUS SYSTEM DISORDERS | G. D. SEARLE & CO. (US) | 2000-03-28 | — | — | US | disclosed |
| US-6011028-A | Cyclic amidino agents useful as nitric oxide synthase inhibitors | G.D. SEARLE & CO. (US) | 2000-01-04 | — | — | US | disclosed |
| WO-1996033175-A1 | CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | G.D. SEARLE & CO. (US) | 1996-10-24 | — | — | WO | disclosed |