⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8401447 | 1.00 | — | — | |
| SCHEMBL8401452 | 1.00 | — | — | |
| SCHEMBL8402159 | 0.86 | — | — | |
| SCHEMBL8402152 | 0.86 | — | — | |
| SCHEMBL8402156 | 0.86 | — | — | |
| SCHEMBL15432968 | 0.79 | — | — | |
| SCHEMBL3525843 | 0.77 | — | — | |
| SCHEMBL3522824 | 0.77 | — | — | |
| SCHEMBL2356835 | 0.77 | — | — | |
| SCHEMBL30220349 | 0.73 | — | — |
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-5998440-A | Azetidine, pyrrolidine and piperidine derivatives | MERCK SHARPE & DOHME LTD. (GB) | 1999-12-07 | — | — | US | disclosed |
| US-5977116-A | Piperazine, piperidine and tetrahydropyridine derivatives | MERCK SHARP & DOHME LTD. (GB) | 1999-11-02 | — | — | US | disclosed |
| EP-0863895-A1 | PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES | MERCK SHARP & DOHME LTD. (GB) | 1998-09-16 | — | — | EP | disclosed |
| WO-1997018203-A1 | PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES | MERCK SHARP & DOHME LIMITED (GB) | 1997-05-22 | — | — | WO | disclosed |