⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL114521 | 0.97 | — | — | |
| SCHEMBL27543204 | 0.97 | ALDH1A1 (0.39) | — | |
| Sulfuric Acid SCHEMBL20816969 | 0.94 | ALDH1A1 (0.40) | — | |
| Fluoride SCHEMBL3439210 | 0.94 | — | — | |
| SCHEMBL16013906 | 0.94 | ALDH1A1 (0.37) | — | |
| SCHEMBL7780213 | 0.94 | ALDH1A1 (0.37) | — | |
| SCHEMBL29037375 | 0.94 | ALDH1A1 (0.37) | — | |
| SCHEMBL9838270 | 0.94 | ALDH1A1 (0.37) | — | |
| SCHEMBL11719475 | 0.94 | — | — | |
| SCHEMBL11581828 | 0.94 | ALDH1A1 (0.37) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107375291-A | For treating the bile acid recycling inhibitors of high cholemia and cholestatic liver disease | 鲁美纳医药公司 | 2017-11-24 | — | — | CN | disclosed |
| CN-104023718-B | Bile acid recirculation inhibitor for treating hypercholemia and cholestatic liver disease | 鲁美纳医药公司 | 2017-04-05 | — | — | CN | disclosed |
| EP-0399508-B1 | Organic electroluminescent device | MITSUBISHI CHEM IND (JP) | 1994-02-02 | — | — | EP | disclosed |
| US-5104749-A | Hydrazone compound for hole injection transfer layer; stability, low driving voltage | MITSUBISHI KASEI CORPORATION (JP) | 1992-04-14 | — | — | US | disclosed |
| EP-0399508-A1 | Organic electroluminescent device | MITSUBISHI KASEI CORPORATION (JP) | 1990-11-28 | — | — | EP | disclosed |