⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12164120 | 0.92 | ALDH1A1 (0.31) | — | |
| SCHEMBL177556 | 0.83 | — | — | |
| SCHEMBL216689 | 0.83 | ALDH1A1 (0.43) | — | |
| Hydrochloric Acid SCHEMBL7635615 | 0.79 | — | — | |
| SCHEMBL6862722 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL1953396 | 0.76 | — | — | |
| SCHEMBL22426007 | 0.73 | ALDH1A1 (0.38) | — | |
| SCHEMBL20888526 | 0.73 | ALDH1A1 (0.38) | — | |
| SCHEMBL8849504 | 0.73 | ALDH1A1 (0.38) | — | |
| Methyl Alcohol SCHEMBL8053975 | 0.73 | ALDH1A1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4076650-B1 | 3-(5-METHOXY-1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES AND USES THEREOF | NOVARTIS AG (CH) | 2024-02-28 | — | — | EP | disclosed |
| US-20150284636-A1 | LIQUID-CRYSTALLINE MEDIUM AND ELECTRO-OPTICAL LIQUID-CRYSTAL DISPLAY | MERCK PATENT GMBH (DE) | 2015-10-08 | — | — | US | disclosed |
| EP-1302523-B1 | Liquid crystalline medium | MERCK PATENT GMBH (DE) | 2009-07-15 | — | — | EP | disclosed |