⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20618754 | 0.81 | — | — | |
| SCHEMBL22765218 | 0.81 | PDE3B (0.35) | — | |
| SCHEMBL20179340 | 0.81 | — | — | |
| SCHEMBL22765226 | 0.80 | PDE3B (0.33) | — | |
| SCHEMBL20179307 | 0.80 | — | — | |
| SCHEMBL20179283 | 0.79 | — | — | |
| SCHEMBL20179333 | 0.79 | — | — | |
| SCHEMBL20179345 | 0.77 | — | — | |
| SCHEMBL20179342 | 0.77 | — | — | |
| SCHEMBL25573942 | 0.75 | PDE3B (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11447701-B2 | Liquid-crystalline medium and liquid-crystal display comprising the same and compounds | MERCK PATENT GMBH (DE) | 2022-09-20 | — | — | US | disclosed |
| US-11060029-B2 | Liquid-crystalline medium and liquid-crystal display comprising the same | MERCK PATENT GMBH (DE) | 2021-07-13 | — | — | US | disclosed |
| US-20210207029-A1 | LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME AND COMPOUNDS | MERCK PATENT GMBH (DE) | 2021-07-08 | — | — | US | disclosed |