⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL347582 | 0.73 | HRH3 (0.30) | — | |
| Trifluoroacetic Acid SCHEMBL4692946 | 0.73 | GABRP (0.32) | — | |
| SCHEMBL5035156 | 0.72 | — | — | |
| SCHEMBL4695239 | 0.71 | — | — | |
| SCHEMBL15752166 | 0.70 | SSTR4 (0.34) | — | |
| SCHEMBL15751182 | 0.68 | SSTR4 (0.32) | — | |
| SCHEMBL1556145 | 0.67 | — | — | |
| SCHEMBL5633904 | 0.67 | GABRA1 (0.37) | — | |
| SCHEMBL21590784 | 0.65 | — | — | |
| SCHEMBL25302792 | 0.65 | — | — |
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 3 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 |