⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15943364 | 0.77 | — | — | |
| SCHEMBL6318759 | 0.74 | — | — | |
| SCHEMBL6312138 | 0.73 | — | — | |
| SCHEMBL6318195 | 0.72 | CYP3A4 (0.38) | — | |
| SCHEMBL12513622 | 0.69 | — | — | |
| SCHEMBL14986936 | 0.69 | — | — | |
| SCHEMBL6312689 | 0.67 | ALDH1A1 (0.38) | — | |
| SCHEMBL11205831 | 0.67 | CA2 (0.51) | — | |
| SCHEMBL13797707 | 0.67 | — | — | |
| SCHEMBL6318146 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20050143581-A1 | Process for preparation of alkoxybenzamides and thiazolyl isocyanates | MITSUI CHEMICALS, INC. (JP) | 2005-06-30 | — | — | US | disclosed |
| EP-1489073-A1 | PROCESS FORPREPARATION OF ALKOXYBENZAMIDES AND THIAZOLYL ISOCYANATES | MITSUI CHEMICALS, INC. (JP) | 2004-12-22 | — | — | EP | disclosed |