⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL395719 | 0.95 | — | — | |
| SCHEMBL27887395 | 0.92 | — | — | |
| SCHEMBL29196053 | 0.70 | RAPGEF4 (0.30) | — | |
| SCHEMBL513951 | 0.68 | CYP3A4 (0.40) | — | |
| SCHEMBL6544216 | 0.68 | ACHE (0.43) | — | |
| SCHEMBL931261 | 0.68 | CYP3A4 (0.32) | — | |
| SCHEMBL15352080 | 0.68 | HDAC1 (0.31) | — | |
| SCHEMBL816590 | 0.68 | CYP1A2 (0.30) | — | |
| SCHEMBL816541 | 0.68 | ALDH1A1 (0.31) | — | |
| SCHEMBL4627832 | 0.68 | ALDH1A1 (0.43) | — |
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 |