⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6344243 | 0.82 | ALDH1A1 (0.53) | — | |
| SCHEMBL6346189 | 0.78 | ALDH1A1 (0.47) | — | |
| SCHEMBL2600024 | 0.77 | — | — | |
| SCHEMBL10973808 | 0.76 | TDP1 (0.53) | — | |
| SCHEMBL23322312 | 0.75 | ALOX5 (0.43) | — | |
| SCHEMBL27343046 | 0.74 | — | — | |
| SCHEMBL16943971 | 0.72 | TSHR (0.31) | — | |
| SCHEMBL21306227 | 0.72 | — | — | |
| SCHEMBL12948670 | 0.71 | — | — | |
| SCHEMBL7583269 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002094771-A1 | PROCESS FOR THE PRODUCTION OF A SULPHUR-CONTAINING COMPOUND | ADISSEO FRANCE S.A.S. (FR) | 2002-11-28 | — | — | WO | disclosed |
| EP-1260500-A1 | Process for the production of a sulphur-containing organic compound | AVENTIS ANIMAL NUTRITION S.A. (FR) | 2002-11-27 | — | — | EP | disclosed |