⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13557185 | 0.79 | PPARD (0.32) | — | |
| SCHEMBL19940080 | 0.79 | BTN3A1 (0.35) | — | |
| SCHEMBL3824569 | 0.79 | TSHR (0.42) | — | |
| SCHEMBL990567 | 0.77 | — | — | |
| SCHEMBL19940081 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL243552 | 0.77 | LMNA (0.40) | — | |
| SCHEMBL17333173 | 0.77 | — | — | |
| SCHEMBL1486113 | 0.76 | TSHR (0.32) | — | |
| SCHEMBL19940097 | 0.76 | CYP3A4 (0.38) | — | |
| SCHEMBL3820534 | 0.76 | LPAR3 (0.38) | — |
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-2655377-A1 | 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS | Glenmark Pharmaceuticals S.A. (CH) | 2013-10-30 | — | — | EP | disclosed |
| WO-2012085662-A1 | 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2012-06-28 | — | — | WO | disclosed |