⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27819302 | 0.97 | — | — | |
| SCHEMBL7627037 | 0.81 | TSHR (0.44) | — | |
| SCHEMBL374146 | 0.80 | — | — | |
| SCHEMBL28313031 | 0.78 | — | — | |
| SCHEMBL237795 | 0.75 | TSHR (0.50) | — | |
| SCHEMBL515199 | 0.75 | TSHR (0.43) | — | |
| SCHEMBL28814353 | 0.75 | — | — | |
| SCHEMBL27907834 | 0.74 | LMNA (0.50) | — | |
| SCHEMBL28016875 | 0.74 | LMNA (0.50) | — | |
| SCHEMBL2762078 | 0.73 | DGKA (0.42) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104651549-B | Leather restorative | 上海彭港实业发展有限公司 | 2017-10-27 | — | — | CN | disclosed |
| CN-104804889-A | Water-based foam cleaning agent | GUANGZHOU RUIWEI BIOTECHNOLOGY CO LTD | 2015-07-29 | — | — | CN | disclosed |
| CN-104651549-A | Leather recovery agent | SHANGHAI PENGGANG INDUSTRY DEV CO LTD | 2015-05-27 | — | — | CN | disclosed |