⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16914263 | 0.76 | NAMPT (0.33) | — | |
| SCHEMBL14108539 | 0.71 | — | — | |
| SCHEMBL13931091 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL4689212 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL4695420 | 0.69 | — | — | |
| SCHEMBL4693816 | 0.66 | — | — | |
| SCHEMBL21287243 | 0.64 | — | — | |
| SCHEMBL13936273 | 0.58 | — | — | |
| SCHEMBL13843849 | 0.58 | — | — | |
| SCHEMBL18988381 | 0.57 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7393858-B2 | Tetrahydropyran compounds as tachykinin antagonists | MERCK SHARP & DOHME LTD. (GB) | 2008-07-01 | — | — | US | disclosed |
| US-7393858-B2 | Tetrahydropyran compounds as tachykinin antagonists | MERCK SHARP & DOHME LTD. (GB) | 2008-07-01 | — | — | US | disclosed |