⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27400016 | 0.72 | — | — | |
| SCHEMBL20909 | 0.72 | — | — | |
| SCHEMBL28879420 | 0.72 | — | — | |
| SCHEMBL1345285 | 0.70 | — | — | |
| SCHEMBL676888 | 0.67 | — | — | |
| SCHEMBL2174053 | 0.65 | ALDH1A1 (0.53) | — | |
| SCHEMBL30704819 | 0.65 | — | — | |
| Phosphine SCHEMBL28106108 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL27939884 | 0.65 | — | — | |
| Urea SCHEMBL1576419 | 0.64 | P2RX7 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-0230242-A2 | Substituted derivatives of 4-amino-3-hydroxy-butyric acid, process for their production, medicines containing them, and their use | HOECHST AKTIENGESELLSCHAFT (DE) | 1987-07-29 | — | — | EP | disclosed |