⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5271352 | 0.71 | — | — | |
| SCHEMBL24539609 | 0.70 | — | — | |
| SCHEMBL15279545 | 0.70 | — | — | |
| SCHEMBL28233993 | 0.68 | — | — | |
| SCHEMBL16455765 | 0.67 | — | — | |
| SCHEMBL15242590 | 0.67 | — | — | |
| SCHEMBL28625481 | 0.67 | — | — | |
| SCHEMBL27641553 | 0.65 | — | — | |
| SCHEMBL2985393 | 0.65 | — | — | |
| SCHEMBL880119 | 0.65 | THRB (0.32) | — |
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-2708538-B1 | Process for preparing fused pyrimidine-dione derivatives, useful as as TRPA1 modulators | GLENMARK PHARMACEUTICALS SA (CH) | 2015-08-12 | — | — | EP | disclosed |
| EP-2708538-A1 | Process for preparing fused pyrimidine-dione derivatives, useful as as TRPA1 modulators | Glenmark Pharmaceuticals S.A. (CH) | 2014-03-19 | — | — | EP | disclosed |