⚠ 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 | |
|---|---|---|---|---|
| Methylsulfanylmethane SCHEMBL8885070 | 0.91 | — | — | |
| Methylsulfanylmethane SCHEMBL1842 | 0.91 | — | — | |
| Methylsulfanylmethane SCHEMBL8215740 | 0.91 | — | — | |
| Methylsulfanylmethane SCHEMBL20138804 | 0.91 | — | — | |
| Methylsulfanylmethane SCHEMBL8975071 | 0.83 | — | — | |
| Methylsulfanylmethane SCHEMBL235948 | 0.83 | — | — | |
| Methylsulfanylmethane SCHEMBL22806929 | 0.83 | — | — | |
| Methylsulfanylmethane SCHEMBL2796599 | 0.83 | — | — | |
| Methylsulfanylmethane SCHEMBL1172580 | 0.83 | — | — | |
| Methylsulfanylmethane SCHEMBL27428453 | 0.83 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0701558-A1 | PROCESS OF MAKING SPIROCYCLES AND ANALOGS THEREOF | MERCK & CO. INC. (US) | 1996-03-20 | — | — | EP | disclosed |
| US-5484923-A | REDUCING A BENZYLIC KETONE TO ALCOHOL BY REACTIONS WITH BORANE DIMETHYL SULFIDE AND BORANE OXAZABOROLIDINE; COMPLEXING, DECOMPOSING | MERCK & CO., INC. (US) | 1996-01-16 | — | — | US | disclosed |
| WO-1994029317-A1 | PROCESS OF MAKING SPIROCYCLES AND ANALOGS THEREOF | MERCK & CO., INC. (US) | 1994-12-22 | — | — | WO | disclosed |