⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2344061 | 0.95 | — | — | |
| SCHEMBL502573 | 0.86 | — | — | |
| SCHEMBL17495568 | 0.82 | — | — | |
| SCHEMBL4445315 | 0.82 | — | — | |
| SCHEMBL8618212 | 0.82 | — | — | |
| SCHEMBL3688207 | 0.78 | — | — | |
| Cyclohexane SCHEMBL10951038 | 0.75 | — | — | |
| SCHEMBL397567 | 0.75 | — | — | |
| SCHEMBL397568 | 0.75 | — | — | |
| SCHEMBL20608604 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001046276-A1 | METALLOCENE CATALYSTS HAVING MULTI-NUCLEAR CONSTRAINED GEOMETRY AND ETHYLENE/AROMATIC VINYL COMPOUND CO-POLYMERS PREPARED BY USING THE SAME | SAMSUNG GENERAL CHEMICALS CO., LTD. (KR) | 2001-06-28 | — | — | WO | disclosed |