⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL144336 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL1780608 | 0.72 | TSHR (0.39) | — | |
| SCHEMBL18991656 | 0.70 | TSHR (0.46) | — | |
| SCHEMBL28759456 | 0.68 | — | — | |
| SCHEMBL199576 | 0.66 | — | — | |
| Undecane SCHEMBL28077009 | 0.66 | CA12 (0.62) | — | |
| SCHEMBL27950869 | 0.66 | — | — | |
| Octane SCHEMBL6653454 | 0.66 | CA12 (0.62) | — | |
| SCHEMBL2272599 | 0.66 | — | — | |
| SCHEMBL28759176 | 0.65 | — | — |
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-113274987-A | Functional coordination material and application thereof in natural extract | 贵州金之键高科技材料有限公司 | 2021-08-20 | — | — | CN | disclosed |