⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL776749 | 0.88 | ALDH1A1 (0.31) | — | |
| SCHEMBL349157 | 0.74 | — | — | |
| SCHEMBL31231926 | 0.70 | KDM4E (0.33) | — | |
| SCHEMBL1705193 | 0.69 | — | — | |
| SCHEMBL22928091 | 0.69 | — | — | |
| SCHEMBL25481711 | 0.69 | — | — | |
| SCHEMBL25481710 | 0.69 | — | — | |
| SCHEMBL6718132 | 0.69 | — | — | |
| SCHEMBL23687522 | 0.67 | — | — | |
| SCHEMBL20737956 | 0.67 | — | — |
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-20120136175-A1 | PROCESS FOR PREPARATION OF ALKYL SULFONE COMPOUNDS | SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) | 2012-05-31 | — | — | US | disclosed |
| EP-2441751-A1 | PROCESS FOR PREPARATION OF ALKYL SULFONE COMPOUNDS | Sumitomo Seika Chemicals CO. LTD. (JP) | 2012-04-18 | — | — | EP | disclosed |