⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27590472 | 0.82 | — | — | |
| SCHEMBL27913618 | 0.82 | — | — | |
| SCHEMBL27964802 | 0.82 | — | — | |
| SCHEMBL37301 | 0.82 | — | — | |
| SCHEMBL6345401 | 0.77 | — | — | |
| SCHEMBL28676889 | 0.73 | — | — | |
| Water SCHEMBL29797570 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL22041618 | 0.73 | — | — | |
| SCHEMBL22158181 | 0.73 | — | — | |
| SCHEMBL10525977 | 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 |
|---|---|---|---|---|---|---|---|
| CN-106554433-B | Spherical load type metallocene catalyst | 中国石油天然气股份有限公司 | 2019-06-11 | — | — | CN | disclosed |