⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21115668 | 0.89 | — | — | |
| SCHEMBL22508506 | 0.87 | — | — | |
| SCHEMBL22137709 | 0.85 | — | — | |
| SCHEMBL19882280 | 0.85 | — | — | |
| SCHEMBL12976105 | 0.78 | ALDH1A1 (0.38) | — | |
| SCHEMBL21096538 | 0.78 | CYP2A6 (0.33) | — | |
| SCHEMBL18137123 | 0.73 | — | — | |
| SCHEMBL18137132 | 0.70 | — | — | |
| SCHEMBL24513479 | 0.70 | — | — | |
| SCHEMBL802798 | 0.70 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3933009-B1 | LIQUID CRYSTAL MEDIUM | MERCK PATENT GMBH (DE) | 2023-08-16 | — | — | EP | disclosed |
| EP-3839008-B1 | LIQUID CRYSTAL MEDIUM | MERCK PATENT GMBH (DE) | 2023-07-26 | — | — | EP | disclosed |
| WO-2022106387-A1 | LIQUID CRYSTAL MEDIUM | MERCK PATENT GMBH (DE) | 2022-05-27 | — | — | WO | disclosed |
| WO-2022090099-A1 | AROMATIC ISOTHIOCYANATES | MERCK PATENT GMBH (DE) | 2022-05-05 | — | — | WO | disclosed |
| WO-2022043376-A1 | AROMATIC ISOTHIOCYANATES | MERCK PATENT GMBH (DE) | 2022-03-03 | — | — | WO | disclosed |
| WO-2022008474-A1 | OPTICAL COMPONENT | MERCK PATENT GMBH (DE) | 2022-01-13 | — | — | WO | disclosed |
| WO-2022003001-A1 | LIQUID CRYSTAL MEDIUM | MERCK PATENT GMBH (DE) | 2022-01-06 | — | — | WO | disclosed |
| EP-3933009-A1 | LIQUID CRYSTAL MEDIUM | Merck Patent GmbH (DE) | 2022-01-05 | — | — | EP | disclosed |
| EP-3839008-A1 | LIQUID CRYSTAL MEDIUM | Merck Patent GmbH (DE) | 2021-06-23 | — | — | EP | disclosed |
| WO-2021069535-A1 | FLUORINATED AROMATIC COMPOUNDS | MERCK PATENT GMBH (DE) | 2021-04-15 | — | — | WO | disclosed |