⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL17817770 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL17817760 | 0.98 | — | — | |
| SCHEMBL28408794 | 0.79 | — | — | |
| SCHEMBL9419521 | 0.70 | — | — | |
| SCHEMBL22163894 | 0.68 | — | — | |
| SCHEMBL29035833 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL27542087 | 0.67 | — | — | |
| SCHEMBL28411341 | 0.66 | — | — | |
| SCHEMBL9143771 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL16740909 | 0.65 | — | — |
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-107531828-B | Method for preparing supported metallocene catalyst | LG化学株式会社 | 2020-05-12 | — | — | CN | disclosed |