⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27582 | 0.78 | — | — | |
| SCHEMBL8187695 | 0.73 | TSHR (0.40) | — | |
| SCHEMBL5316501 | 0.73 | TSHR (0.40) | — | |
| SCHEMBL5670332 | 0.73 | — | — | |
| SCHEMBL6727310 | 0.73 | — | — | |
| SCHEMBL7953355 | 0.73 | — | — | |
| SCHEMBL11807805 | 0.73 | — | — | |
| SCHEMBL4751832 | 0.73 | ALDH1A1 (0.36) | — | |
| SCHEMBL132424 | 0.71 | — | — | |
| SCHEMBL5932091 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0625981-A1 | AZABICYCLO COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1994-11-30 | — | — | EP | disclosed |
| WO-1993015080-A1 | AZABICYCLO COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1993-08-05 | — | — | WO | disclosed |
| EP-0294391-A4 | PROCESS AND COMPOSITION FOR ORAL HYGIENE | — | 1991-10-16 | — | — | EP | disclosed |
| EP-0294391-A1 | PROCESS AND COMPOSITION FOR ORAL HYGIENE. | MICHAELS E B RES ASS INC (US) | 1988-12-14 | — | — | EP | disclosed |
| WO-1987004922-A1 | PROCESS AND COMPOSITION FOR ORAL HYGIENE | E.B. MICHAELS RESEARCH ASSOCIATES, INC. (US) | 1987-08-27 | — | — | WO | disclosed |