⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4755289 | 1.00 | — | — | |
| SCHEMBL28386761 | 0.79 | TP53 (0.39) | — | |
| SCHEMBL5350522 | 0.79 | MAPT (0.41) | — | |
| SCHEMBL6397374 | 0.77 | PRKDC (0.39) | — | |
| SCHEMBL592513 | 0.75 | — | — | |
| SCHEMBL14561874 | 0.75 | ALDH1A1 (0.48) | — | |
| SCHEMBL1864142 | 0.74 | ATM (0.36) | — | |
| Fluoride SCHEMBL9450647 | 0.73 | — | — | |
| SCHEMBL2582143 | 0.71 | — | — | |
| SCHEMBL3126756 | 0.71 | — | — |
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-0654023-B1 | 5-(2-OXYPHENYL)-PYRROLE DERIVATIVES AS DOPAMINE D3 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1998-09-16 | — | — | EP | disclosed |
| US-5523299-A | ADMINISTERING IN TREATMENT OF PSYCHOTIC DISORDERS | SMITHKLINE BEECHAM PLC (GB) | 1996-06-04 | — | — | US | disclosed |
| EP-0654023-A1 | 5-(2-OXYPHENYL)-PYRROLE DERIVATIVES AS DOPAMINE D3 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1995-05-24 | — | — | EP | disclosed |
| WO-1994003426-A1 | 5-(2-OXYPHENYL)-PYRROLE DERIVATIVES AS DOPAMINE D3 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1994-02-17 | — | — | WO | disclosed |