⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8623591 | 0.67 | — | — | |
| SCHEMBL8285751 | 0.60 | CDC25B (0.32) | — | |
| SCHEMBL19252986 | 0.60 | — | — | |
| SCHEMBL13786478 | 0.56 | — | — | |
| SCHEMBL18818680 | 0.56 | CDC25B (0.32) | — | |
| SCHEMBL5868568 | 0.55 | — | — | |
| SCHEMBL2001087 | 0.54 | — | — | |
| SCHEMBL20529330 | 0.53 | CA2 (0.37) | — | |
| SCHEMBL10513055 | 0.52 | — | — | |
| SCHEMBL127479 | 0.51 | EGFR (0.50) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8575178-B2 | Isothiazolo-pyrimidinedione derivatives as TRPA1 modulators | GLENMARK PHARMACEUTICALS S.A. (CH) | 2013-11-05 | — | — | US | disclosed |
| US-8575178-B2 | Isothiazolo-pyrimidinedione derivatives as TRPA1 modulators | GLENMARK PHARMACEUTICALS S.A. (CH) | 2013-11-05 | — | — | US | disclosed |
| EP-2411397-B1 | ISOTHIAZOLO-PYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS | GLENMARK PHARMACEUTICALS SA (CH) | 2013-05-29 | — | — | EP | disclosed |
| CN-102395592-A | Isothiazolopyrimidinedione derivatives as TRPA1 modulators | GLENMARK PHARMACEUTICALS SA | 2012-03-28 | — | — | CN | disclosed |
| EP-2411397-A1 | ISOTHIAZOLO-PYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS | Glenmark Pharmaceuticals S.A. (CH) | 2012-02-01 | — | — | EP | disclosed |
| EP-2411397-A1 | ISOTHIAZOLO-PYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS | Glenmark Pharmaceuticals S.A. (CH) | 2012-02-01 | — | — | EP | disclosed |
| US-20120010223-A1 | ISOTHIAZOLO-PYRIMIDINEDIONE DERIVATIVES AS TRPAI MODULATORS | GLENMARK PHARMACEUTICALS, S.A. (CH) | 2012-01-12 | — | — | US | disclosed |
| US-20120010223-A1 | ISOTHIAZOLO-PYRIMIDINEDIONE DERIVATIVES AS TRPAI MODULATORS | GLENMARK PHARMACEUTICALS, S.A. (CH) | 2012-01-12 | — | — | US | disclosed |
| WO-2010109328-A1 | ISOTHIAZOLO-PYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS | GLENMARK PHARMACEUTICALS, S.A. (CH) | 2010-09-30 | — | — | WO | disclosed |
| WO-2010109328-A1 | ISOTHIAZOLO-PYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS | GLENMARK PHARMACEUTICALS, S.A. (CH) | 2010-09-30 | — | — | WO | disclosed |