⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL383725 | 0.87 | — | — | |
| SCHEMBL4446062 | 0.82 | — | — | |
| Methylsulfanylmethane SCHEMBL237052 | 0.66 | — | — | |
| Vinyl Chloride SCHEMBL27259011 | 0.64 | — | — | |
| Methylsulfanylmethane SCHEMBL4446069 | 0.64 | — | — | |
| SCHEMBL13028516 | 0.61 | — | — | |
| SCHEMBL1080579 | 0.58 | — | — | |
| SCHEMBL576173 | 0.58 | — | — | |
| SCHEMBL8101032 | 0.58 | — | — | |
| SCHEMBL17199535 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7572541-B2 | Fuel cell | KABUSHIKI KAISHA TOSHIBA (JP) | 2009-08-11 | — | — | US | disclosed |
| US-20060141297-A1 | Fuel cell | KABUSHIKI KAISHA TOSHIBA (JP) | 2006-06-29 | — | — | US | disclosed |