⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18606584 | 0.74 | GBA2 (0.31) | — | |
| SCHEMBL2975191 | 0.73 | POLA1 (0.39) | — | |
| SCHEMBL2475746 | 0.73 | — | — | |
| SCHEMBL27576974 | 0.72 | — | — | |
| SCHEMBL30723201 | 0.71 | — | — | |
| SCHEMBL16429383 | 0.71 | — | — | |
| SCHEMBL29281341 | 0.71 | — | — | |
| SCHEMBL3429489 | 0.71 | POLA1 (0.30) | — | |
| SCHEMBL1847614 | 0.71 | GAA (0.30) | — | |
| SCHEMBL10997398 | 0.70 | POLA1 (0.31) | — |
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-113164941-A | Catalyst system comprising a metathesis catalyst and at least one phenolic compound and process for the metathesis of nitrile rubber (NBR) using the catalyst system | 阿朗新科德国有限责任公司 | 2021-07-23 | — | — | CN | disclosed |