⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28465239 | 0.75 | — | — | |
| SCHEMBL23551204 | 0.73 | — | — | |
| SCHEMBL5142249 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL23855065 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL23538291 | 0.71 | — | — | |
| SCHEMBL17832847 | 0.69 | — | — | |
| SCHEMBL1953883 | 0.69 | — | — | |
| SCHEMBL1953881 | 0.69 | — | — | |
| SCHEMBL23374164 | 0.67 | — | — | |
| SCHEMBL17656349 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2411396-B1 | THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS | GLENMARK PHARMACEUTICALS SA (CH) | 2013-05-29 | — | — | EP | disclosed |
| EP-2411395-B1 | FUROPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS | GLENMARK PHARMACEUTICALS SA (CH) | 2013-05-29 | — | — | EP | disclosed |