⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21406969 | 0.90 | — | — | |
| SCHEMBL21406851 | 0.90 | NPC1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL18240529 | 0.89 | NPC1 (0.30) | — | |
| SCHEMBL21406870 | 0.89 | — | — | |
| SCHEMBL2806403 | 0.86 | — | — | |
| SCHEMBL2806407 | 0.86 | — | — | |
| SCHEMBL6225642 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL18632118 | 0.80 | — | — | |
| SCHEMBL2803238 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL18632125 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2465878-A1 | Bridged metallocene compound for olefin polymerization and method of polymerizing olefin using the same | Mitsui Chemicals, Inc. (JP) | 2012-06-20 | — | — | EP | disclosed |