⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL395710 | 0.97 | CYP3A4 (0.30) | — | |
| SCHEMBL28040404 | 0.81 | CYP3A4 (0.32) | — | |
| SCHEMBL395085 | 0.78 | CYP3A4 (0.33) | — | |
| SCHEMBL4964214 | 0.77 | — | — | |
| Ethylene SCHEMBL27763844 | 0.74 | CYP3A4 (0.35) | — | |
| SCHEMBL120101 | 0.73 | TSHR (0.39) | — | |
| SCHEMBL28675372 | 0.72 | ACHE (0.43) | — | |
| Formaldehyde SCHEMBL27539276 | 0.71 | MAPK1 (0.33) | — | |
| SCHEMBL28040434 | 0.71 | — | — | |
| Fluoride SCHEMBL28587768 | 0.70 | CYP3A4 (0.37) | — |
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 |