⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6319267 | 0.74 | — | — | |
| SCHEMBL6312138 | 0.74 | — | — | |
| SCHEMBL6312689 | 0.69 | ALDH1A1 (0.38) | — | |
| SCHEMBL11205831 | 0.69 | CA2 (0.51) | — | |
| SCHEMBL6313050 | 0.67 | — | — | |
| SCHEMBL11670097 | 0.65 | POLB (0.41) | — | |
| SCHEMBL11810594 | 0.64 | MPI (0.32) | — | |
| SCHEMBL11138368 | 0.60 | — | — | |
| SCHEMBL3060374 | 0.60 | — | — | |
| SCHEMBL332062 | 0.58 | CYP3A4 (0.37) | — |
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 4 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 |
| US-6844344-B2 | Benzofuran derivatives | ELI LILLY AND COMPANY (US) | 2005-01-18 | — | — | US | disclosed |
| EP-1489073-A1 | PROCESS FORPREPARATION OF ALKOXYBENZAMIDES AND THIAZOLYL ISOCYANATES | MITSUI CHEMICALS, INC. (JP) | 2004-12-22 | — | — | EP | disclosed |
| US-20030232833-A1 | Benzofuran derivatives | ELI LILLY AND COMPANY | 2003-12-18 | — | — | US | disclosed |