⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL320817 | 0.80 | — | — | |
| SCHEMBL8506558 | 0.72 | — | — | |
| SCHEMBL30931747 | 0.72 | — | — | |
| SCHEMBL1039840 | 0.72 | — | — | |
| Phosphine SCHEMBL22230553 | 0.70 | TAAR1 (0.46) | — | |
| SCHEMBL14830056 | 0.69 | IDO1 (0.37) | — | |
| SCHEMBL7555209 | 0.68 | TAAR1 (0.45) | — | |
| SCHEMBL80764 | 0.68 | — | — | |
| SCHEMBL944693 | 0.68 | — | — | |
| SCHEMBL1864082 | 0.68 | — | — |
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-1844044-A1 | THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2007-10-17 | — | — | EP | disclosed |
| WO-2006074884-A1 | THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2006-07-20 | — | — | WO | disclosed |