⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13784213 | 1.00 | — | — | |
| SCHEMBL9943933 | 0.83 | — | — | |
| SCHEMBL19417465 | 0.81 | — | — | |
| SCHEMBL24080867 | 0.81 | — | — | |
| SCHEMBL18556498 | 0.81 | ALDH1A1 (0.35) | — | |
| SCHEMBL14563908 | 0.75 | — | — | |
| SCHEMBL12020127 | 0.75 | — | — | |
| SCHEMBL10067801 | 0.75 | — | — | |
| SCHEMBL4267030 | 0.73 | — | — | |
| SCHEMBL11880679 | 0.73 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110358804-B | Enzyme method production process of R-3-amino n-butanol | 湖州颐辉生物科技有限公司 | 2021-06-01 | — | — | CN | claimed |
| CN-110358804-B | Enzyme method production process of R-3-amino n-butanol | 湖州颐辉生物科技有限公司 | 2021-06-01 | — | — | CN | disclosed |
| CN-110655517-A | Preparation method of doriravir open-loop impurities and impurities thereof | 安徽贝克生物制药有限公司 | 2020-01-07 | — | — | CN | disclosed |
| EP-3031810-A1 | IMPROVED CYTOTOXIC AGENTS COMPRISING NEW MAYTANSINOIDS | ImmunoGen, Inc. (US) | 2016-06-15 | — | — | EP | disclosed |