⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29129722 | 1.00 | — | — | |
| SCHEMBL379535 | 0.90 | ALDH1A1 (0.32) | — | |
| SCHEMBL3185955 | 0.90 | ALDH1A1 (0.32) | — | |
| SCHEMBL27839473 | 0.90 | ALDH1A1 (0.32) | — | |
| SCHEMBL2168028 | 0.90 | ALDH1A1 (0.32) | — | |
| SCHEMBL10548181 | 0.90 | ALDH1A1 (0.32) | — | |
| SCHEMBL139552 | 0.90 | ALDH1A1 (0.32) | — | |
| SCHEMBL3180143 | 0.90 | ALDH1A1 (0.32) | — | |
| SCHEMBL6244133 | 0.90 | ALDH1A1 (0.32) | — | |
| SCHEMBL1893030 | 0.90 | ALDH1A1 (0.32) | — |
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-116948060-A | Method for hydrogenation of nitrile rubber by single ruthenium catalyst | 西安凯立新材料股份有限公司 | 2023-10-27 | — | — | CN | disclosed |