⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21608907 | 0.90 | — | — | |
| SCHEMBL21608885 | 0.86 | — | — | |
| SCHEMBL21608901 | 0.86 | — | — | |
| SCHEMBL21608883 | 0.86 | — | — | |
| SCHEMBL25070493 | 0.86 | — | — | |
| SCHEMBL25070594 | 0.85 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL25070509 | 0.85 | — | — | |
| SCHEMBL25070334 | 0.84 | — | — | |
| SCHEMBL21608889 | 0.82 | — | — | |
| SCHEMBL21608675 | 0.79 | KDM4E (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-12043782-B2 | Liquid crystalline medium | MERCK PATENT GMBH (DE) | 2024-07-23 | — | — | US | disclosed |
| US-12043782-B2 | Liquid crystalline medium | MERCK PATENT GMBH (DE) | 2024-07-23 | — | — | US | disclosed |
| WO-2019243216-A1 | LIQUID CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2019-12-26 | — | — | WO | disclosed |