⚠ 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 SCHEMBL58269 | 1.00 | — | — | |
| Methylsulfanylmethane SCHEMBL7985077 | 0.77 | — | — | |
| Methylsulfanylmethane SCHEMBL1618 | 0.76 | — | — | |
| Methylsulfanylmethane SCHEMBL1330443 | 0.76 | — | — | |
| Methylsulfanylmethane SCHEMBL5440614 | 0.76 | — | — | |
| Methylsulfanylmethane SCHEMBL479114 | 0.71 | — | — | |
| Methylsulfanylmethane SCHEMBL3283496 | 0.71 | — | — | |
| Methylsulfanylmethane SCHEMBL23701635 | 0.68 | — | — | |
| Methylsulfanylmethane SCHEMBL10814145 | 0.68 | — | — | |
| Methylsulfanylmethane SCHEMBL5139388 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0733036-A1 | ALPHA-QUATERNARY-ALPHA-AMINO ACIDS FOR USE AS CNS AGENTS | UNIVERSITY OF BRISTOL (GB) | 1996-09-25 | — | — | EP | disclosed |
| WO-1995015940-A1 | ALPHA-QUATERNARY-ALPHA-AMINO ACIDS FOR USE AS CNS AGENTS | UNIVERSITY OF BRISTOL (GB) | 1995-06-15 | — | — | WO | disclosed |