⚠ 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 SCHEMBL8952515 | 0.91 | — | — | |
| Methylsulfanylmethane SCHEMBL27386939 | 0.91 | — | — | |
| Methylsulfanylmethane SCHEMBL8876 | 0.91 | — | — | |
| Methylsulfanylmethane SCHEMBL7436560 | 0.83 | — | — | |
| Methylsulfanylmethane SCHEMBL27428453 | 0.83 | — | — | |
| Methylsulfanylmethane SCHEMBL9413612 | 0.83 | — | — | |
| Methylsulfanylmethane SCHEMBL1330443 | 0.82 | — | — | |
| Methylsulfanylmethane SCHEMBL1618 | 0.82 | — | — | |
| Methylsulfanylmethane SCHEMBL5440614 | 0.82 | — | — | |
| Methylsulfanylmethane SCHEMBL27928784 | 0.82 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5387709-A | Bronchodilator agents, anticoagulants, vasodilation | LIPHA LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) | 1995-02-07 | — | — | US | disclosed |