⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31707459 | 0.72 | TSHR (0.38) | — | |
| SCHEMBL9580646 | 0.72 | — | — | |
| SCHEMBL18328352 | 0.67 | — | — | |
| SCHEMBL19688909 | 0.62 | — | — | |
| SCHEMBL24045092 | 0.60 | — | — | |
| SCHEMBL19456774 | 0.60 | — | — | |
| SCHEMBL25467387 | 0.59 | — | — | |
| SCHEMBL2294948 | 0.57 | — | — | |
| SCHEMBL9396892 | 0.56 | — | — | |
| Acrolein SCHEMBL8586577 | 0.56 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0801057-B1 | PROCESS FOR PRODUCING OPTICALLY ACTIVE TRANS-VINYL SULFIDE ALCOHOLS | SUNTORY LTD (JP) | 2002-01-16 | — | — | EP | claimed |
| US-6049009-A | REDUCING A TRANS-VINYLSULFIDE KETONE COMPOUND WITH BORANE REDUCING AGENT IN PRESENCE OF OPTICALLY ACTIVE OXAZABOROLIDINE COMPOUND AND A SULFIDE COMPOUND SELECTED FROM DIMETHYLSULFIDE, METHYLPHENYLSULFIDE, DIPHENYLSULFIDE, DI-N-BUTYLSULFIDE | SUNTORY LIMITED (JP) | 2000-04-11 | — | — | US | claimed |
| EP-0801057-A1 | PROCESS FOR PRODUCING OPTICALLY ACTIVE TRANS-VINYL SULFIDE ALCOHOLS | SUNTORY LIMITED (JP) | 1997-10-15 | — | — | EP | claimed |
| EP-0801057-B1 | PROCESS FOR PRODUCING OPTICALLY ACTIVE TRANS-VINYL SULFIDE ALCOHOLS | SUNTORY LTD (JP) | 2002-01-16 | — | — | EP | disclosed |
| US-6049009-A | REDUCING A TRANS-VINYLSULFIDE KETONE COMPOUND WITH BORANE REDUCING AGENT IN PRESENCE OF OPTICALLY ACTIVE OXAZABOROLIDINE COMPOUND AND A SULFIDE COMPOUND SELECTED FROM DIMETHYLSULFIDE, METHYLPHENYLSULFIDE, DIPHENYLSULFIDE, DI-N-BUTYLSULFIDE | SUNTORY LIMITED (JP) | 2000-04-11 | — | — | US | disclosed |
| US-6049009-A | REDUCING A TRANS-VINYLSULFIDE KETONE COMPOUND WITH BORANE REDUCING AGENT IN PRESENCE OF OPTICALLY ACTIVE OXAZABOROLIDINE COMPOUND AND A SULFIDE COMPOUND SELECTED FROM DIMETHYLSULFIDE, METHYLPHENYLSULFIDE, DIPHENYLSULFIDE, DI-N-BUTYLSULFIDE | SUNTORY LIMITED (JP) | 2000-04-11 | — | — | US | disclosed |
| US-6049009-A | REDUCING A TRANS-VINYLSULFIDE KETONE COMPOUND WITH BORANE REDUCING AGENT IN PRESENCE OF OPTICALLY ACTIVE OXAZABOROLIDINE COMPOUND AND A SULFIDE COMPOUND SELECTED FROM DIMETHYLSULFIDE, METHYLPHENYLSULFIDE, DIPHENYLSULFIDE, DI-N-BUTYLSULFIDE | SUNTORY LIMITED (JP) | 2000-04-11 | — | — | US | disclosed |
| EP-0801057-A1 | PROCESS FOR PRODUCING OPTICALLY ACTIVE TRANS-VINYL SULFIDE ALCOHOLS | SUNTORY LIMITED (JP) | 1997-10-15 | — | — | EP | disclosed |
| EP-0801057-A1 | PROCESS FOR PRODUCING OPTICALLY ACTIVE TRANS-VINYL SULFIDE ALCOHOLS | SUNTORY LIMITED (JP) | 1997-10-15 | — | — | EP | disclosed |