⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13931091 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL4695420 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL4689212 | 0.76 | — | — | |
| SCHEMBL14108540 | 0.66 | — | — | |
| SCHEMBL16914263 | 0.62 | NAMPT (0.33) | — | |
| SCHEMBL21287243 | 0.62 | — | — | |
| SCHEMBL21276013 | 0.62 | — | — | |
| SCHEMBL21585412 | 0.62 | — | — | |
| SCHEMBL18988381 | 0.62 | — | — | |
| SCHEMBL31756118 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1603901-B1 | TETRAHYDROPYRAN COMPOUNDS AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME (GB) | 2008-10-15 | — | — | EP | disclosed |
| US-7393858-B2 | Tetrahydropyran compounds as tachykinin antagonists | MERCK SHARP & DOHME LTD. (GB) | 2008-07-01 | — | — | US | disclosed |
| US-20060172999-A1 | Tetrahydropyran compounds as tachykinin antagonists | MERCK SHARP & DOHME LTD. (GB) | 2006-08-03 | — | — | US | disclosed |
| EP-1603901-A1 | TETRAHYDROPYRAN COMPOUNDS AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME LTD. (GB) | 2005-12-14 | — | — | EP | disclosed |
| WO-2004078750-A1 | TETRAHYDROPYRAN COMPOUNDS AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 2004-09-16 | — | — | WO | disclosed |