⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1705459 | 0.80 | — | — | |
| SCHEMBL7229875 | 0.75 | NOS2 (0.39) | — | |
| SCHEMBL1219899 | 0.74 | — | — | |
| SCHEMBL6965933 | 0.73 | PARP1 (0.32) | — | |
| SCHEMBL28288749 | 0.69 | SLC6A1 (0.32) | — | |
| SCHEMBL375244 | 0.65 | — | — | |
| SCHEMBL1134919 | 0.65 | SLC6A2 (0.30) | — | |
| SCHEMBL9358178 | 0.63 | PARP1 (0.36) | — | |
| SCHEMBL4055371 | 0.62 | — | — | |
| SCHEMBL477211 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6423725-B1 | ANALGESICS | PFIZER INC | 2002-07-23 | — | — | US | disclosed |
| EP-1049689-A1 | 4-(2-KETO-1-BENZIMIDAZOLINYL)PIPERIDINE COMPOUNDS AS ORL1-RECEPTOR AGONISTS | PFIZER INC. (US) | 2000-11-08 | — | — | EP | disclosed |
| WO-1999036421-A1 | 4-(2-KETO-1-BENZIMIDAZOLINYL)PIPERIDINE COMPOUNDS AS ORL1-RECEPTOR AGONISTS | PFIZER PHARMACEUTICALS INC. (JP) | 1999-07-22 | — | — | WO | disclosed |