⚠ 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 | |
|---|---|---|---|---|
| Ethyl Acetate SCHEMBL4591730 | 0.94 | — | — | |
| Ethyl Acetate SCHEMBL27619624 | 0.94 | — | — | |
| Ethyl Acetate SCHEMBL30152067 | 0.94 | — | — | |
| Ethyl Acetate SCHEMBL28457765 | 0.94 | ALDH1A1 (1.00) | — | |
| Ethyl Acetate SCHEMBL1330811 | 0.94 | — | — | |
| Ethyl Acetate SCHEMBL1331901 | 0.94 | — | — | |
| Ethyl Acetate SCHEMBL28615209 | 0.94 | ALDH1A1 (1.00) | — | |
| Ethyl Acetate SCHEMBL1331990 | 0.94 | — | — | |
| Ethyl Acetate SCHEMBL8506185 | 0.94 | ALDH1A1 (1.00) | — | |
| Ethyl Acetate SCHEMBL70316 | 0.94 | ALDH1A1 (1.00) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7008940-B1 | Dihydrobenzofuran derivatives, process for the preparing thereof and agents | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2006-03-07 | — | — | US | disclosed |
| EP-1213290-B1 | DIHYDROBENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS | TAKEDA PHARMACEUTICAL (JP) | 2005-04-20 | — | — | EP | disclosed |
| EP-1213290-A1 | DIHYDROBENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS | Takeda Chemical Industries, Ltd. (JP) | 2002-06-12 | — | — | EP | disclosed |