⚠ 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 SCHEMBL5083740 | 0.97 | — | — | |
| Ethyl Acetate SCHEMBL28137980 | 0.97 | — | — | |
| Ethyl Acetate SCHEMBL25250531 | 0.94 | — | — | |
| Ethyl Acetate SCHEMBL28221182 | 0.94 | — | — | |
| Ethyl Acetate SCHEMBL261878 | 0.94 | — | — | |
| Ethyl Acetate SCHEMBL28457765 | 0.94 | ALDH1A1 (1.00) | — | |
| Ethyl Acetate SCHEMBL30152067 | 0.94 | — | — | |
| Ethyl Acetate SCHEMBL1331990 | 0.94 | — | — | |
| Ethyl Acetate SCHEMBL8506185 | 0.94 | ALDH1A1 (1.00) | — | |
| Ethyl Acetate SCHEMBL28615209 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1084114-A1 | ISOTHIAZOLE DERIVATIVES USEFUL AS ANTICANCER AGENTS | Pfizer Products Inc. (US) | 2001-03-21 | — | — | EP | disclosed |
| WO-1999062890-A1 | ISOTHIAZOLE DERIVATIVES USEFUL AS ANTICANCER AGENTS | PFIZER PRODUCTS INC. (US) | 1999-12-09 | — | — | WO | disclosed |