⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22061042 | 0.95 | — | — | |
| SCHEMBL23050153 | 0.86 | METAP2 (0.32) | — | |
| SCHEMBL18348902 | 0.84 | PRKD3 (0.36) | — | |
| SCHEMBL4498987 | 0.82 | TSHR (0.33) | — | |
| SCHEMBL18348901 | 0.80 | PRKD3 (0.46) | — | |
| SCHEMBL20976737 | 0.79 | — | — | |
| SCHEMBL22043073 | 0.79 | — | — | |
| SCHEMBL9888022 | 0.79 | — | — | |
| SCHEMBL23873202 | 0.79 | — | — | |
| SCHEMBL7961745 | 0.79 | — | — |
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-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 |
| WO-2008012292-A1 | LIQUID CRYSTALLINE BLEND | BASF SE (DE) | 2008-01-31 | — | — | WO | disclosed |