⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16393982 | 0.82 | PTAFR (0.30) | — | |
| SCHEMBL28224867 | 0.78 | PTAFR (0.33) | — | |
| SCHEMBL28055136 | 0.75 | PTAFR (0.31) | — | |
| SCHEMBL28055115 | 0.75 | — | — | |
| SCHEMBL6031753 | 0.75 | RXRB (0.36) | — | |
| SCHEMBL29594786 | 0.75 | RXRB (0.36) | — | |
| Hydrochloric Acid SCHEMBL16393978 | 0.74 | — | — | |
| SCHEMBL6150740 | 0.73 | RXRB (0.35) | — | |
| SCHEMBL28055113 | 0.73 | — | — | |
| SCHEMBL16393979 | 0.72 | — | — |
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-105377904-A | Metallocenes and catalyst compositions derived therefrom | EXXONMOBIL CHEMICAL PATENTS INC | 2016-03-02 | — | — | CN | disclosed |