⚠ 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 | |
|---|---|---|---|---|
| Methane SCHEMBL28972456 | 0.87 | — | — | |
| SCHEMBL8847371 | 0.82 | — | — | |
| SCHEMBL28166993 | 0.82 | — | — | |
| SCHEMBL653855 | 0.82 | — | — | |
| SCHEMBL9839657 | 0.82 | — | — | |
| SCHEMBL27281919 | 0.82 | — | — | |
| SCHEMBL456640 | 0.82 | — | — | |
| SCHEMBL7793479 | 0.82 | — | — | |
| Water SCHEMBL23924155 | 0.67 | — | — | |
| SCHEMBL13386024 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-115832336-B | Fuel cell metal polar plate precoat and preparation method thereof | 上海治臻新能源股份有限公司 | 2023-07-14 | — | — | CN | disclosed |
| CN-115832336-A | Fuel cell metal polar plate precoating and preparation method thereof | 上海治臻新能源股份有限公司 | 2023-03-21 | — | — | CN | disclosed |