⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7221009 | 0.87 | HRH4 (0.31) | — | |
| SCHEMBL31413916 | 0.85 | — | — | |
| SCHEMBL27706270 | 0.85 | — | — | |
| SCHEMBL27531566 | 0.81 | — | — | |
| SCHEMBL5653455 | 0.77 | — | — | |
| SCHEMBL27358138 | 0.77 | — | — | |
| SCHEMBL28044336 | 0.77 | — | — | |
| SCHEMBL27283715 | 0.77 | — | — | |
| SCHEMBL27523647 | 0.76 | — | — | |
| SCHEMBL28239035 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996033175-A1 | CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | G.D. SEARLE & CO. (US) | 1996-10-24 | — | — | WO | claimed |
| EP-0969842-A1 | PHARMACEUTICAL COMPOSITION | R.P. Scherer Limited (GB) | 2000-01-12 | — | — | EP | disclosed |
| WO-1998042344-A1 | PHARMACEUTICAL COMPOSITION | R. P. SCHERER LIMITED (GB) | 1998-10-01 | — | — | WO | disclosed |