⚠ 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 SCHEMBL27847100 | 0.82 | — | — | |
| Methane SCHEMBL27678248 | 0.82 | — | — | |
| Methane SCHEMBL28694464 | 0.82 | — | — | |
| Phosphine SCHEMBL188146 | 0.82 | — | — | |
| Methane SCHEMBL5960017 | 0.82 | — | — | |
| Methane SCHEMBL28281376 | 0.82 | — | — | |
| Phosphine SCHEMBL28551397 | 0.82 | — | — | |
| Phosphine SCHEMBL3166267 | 0.82 | — | — | |
| Phosphine SCHEMBL15525085 | 0.82 | — | — | |
| Methane SCHEMBL559798 | 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 |
|---|---|---|---|---|---|---|---|
| CN-115254201-A | Method for regenerating nano metal-phosphorus-carbon catalyst by hydrogen reduction | 中国科学院兰州化学物理研究所 | 2022-11-01 | — | — | CN | disclosed |