⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1053930 | 0.77 | CYP1A2 (0.35) | — | |
| SCHEMBL1075123 | 0.74 | — | — | |
| Lithium SCHEMBL6264089 | 0.72 | — | — | |
| Iodide SCHEMBL29025947 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL29053547 | 0.72 | — | — | |
| SCHEMBL31190154 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL29028223 | 0.72 | — | — | |
| SCHEMBL24768150 | 0.70 | — | — | |
| Fluoride SCHEMBL14121168 | 0.70 | — | — | |
| Fluoride SCHEMBL14122099 | 0.70 | — | — |
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-102666561-B | Transition metal complex, the cyclopentadiene compound of catalyst for trimerization and replacement | SUMITOMO CHEMICAL CO.,LTD. (JP) | 2015-11-25 | — | — | CN | disclosed |