⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10604210 | 0.97 | — | — | |
| SCHEMBL27635 | 0.97 | — | — | |
| SCHEMBL10604216 | 0.97 | — | — | |
| SCHEMBL42248 | 0.82 | — | — | |
| SCHEMBL1483256 | 0.82 | — | — | |
| SCHEMBL891781 | 0.81 | — | — | |
| SCHEMBL28321659 | 0.78 | ALDH1A1 (0.42) | — | |
| SCHEMBL4450753 | 0.78 | — | — | |
| SCHEMBL4627469 | 0.78 | — | — | |
| SCHEMBL15059 | 0.78 | — | — |
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-110167949-B | Iron oxynitrides complexes, catalytic systems comprising them and processes for the (co) polymerization of conjugated dienes | 维尔萨利斯股份公司 | 2022-08-23 | — | — | CN | disclosed |