⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8420577 | 0.93 | ESR1 (0.30) | — | |
| SCHEMBL20474082 | 0.93 | ESR1 (0.30) | — | |
| SCHEMBL20702008 | 0.91 | — | — | |
| SCHEMBL28313761 | 0.91 | — | — | |
| SCHEMBL28415509 | 0.91 | — | — | |
| Lithium SCHEMBL29869960 | 0.91 | — | — | |
| SCHEMBL28315161 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL28313758 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL28315100 | 0.89 | — | — | |
| SCHEMBL28875738 | 0.77 | — | — |
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-109996820-A | Metallocene catalyst, catalyst system and the method using it | 埃克森美孚化学专利公司 | 2019-07-09 | — | — | CN | disclosed |