⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2704495 | 0.65 | — | — | |
| SCHEMBL861710 | 0.63 | ALDH1A1 (0.43) | — | |
| SCHEMBL3402274 | 0.63 | — | — | |
| Methyl Alcohol SCHEMBL11303461 | 0.63 | ALDH1A1 (0.44) | — | |
| SCHEMBL21450592 | 0.62 | — | — | |
| SCHEMBL617958 | 0.60 | — | — | |
| SCHEMBL15727542 | 0.60 | — | — | |
| SCHEMBL2874637 | 0.59 | — | — | |
| SCHEMBL7754167 | 0.58 | — | — | |
| SCHEMBL9093115 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019141229-A1 | COMPOUND AS PPAR AGONIST AND APPLICATION THEREOF | 上海怡立舍生物技术有限公司 | 2019-07-25 | — | — | WO | disclosed |