⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8523616 | 1.00 | — | — | |
| SCHEMBL168578 | 0.86 | — | — | |
| SCHEMBL10622609 | 0.83 | — | — | |
| SCHEMBL10622614 | 0.83 | — | — | |
| SCHEMBL9337387 | 0.80 | ALDH1A1 (0.44) | — | |
| SCHEMBL7772109 | 0.79 | — | — | |
| SCHEMBL7772112 | 0.79 | — | — | |
| SCHEMBL815076 | 0.78 | NOS1 (0.37) | — | |
| SCHEMBL432351 | 0.78 | — | — | |
| SCHEMBL2850585 | 0.77 | ALOX5 (0.31) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0149208-B1 | ETHANE DERIVATIVES | MERCK PATENT GmbH (DE) | 1988-05-04 | — | — | EP | claimed |
| US-4659502-A | LIQUID CRYSTALS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1987-04-21 | — | — | US | claimed |
| EP-0149208-A2 | Ethane derivatives | MERCK PATENT GmbH (DE) | 1985-07-24 | — | — | EP | claimed |
| US-5651919-A | Benzyl ether derivative and composition containing the same | CITIZEN WATCH CO., LTD. (JP) | 1997-07-29 | — | — | US | disclosed |
| EP-0149208-B1 | ETHANE DERIVATIVES | MERCK PATENT GmbH (DE) | 1988-05-04 | — | — | EP | disclosed |
| US-4659502-A | LIQUID CRYSTALS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1987-04-21 | — | — | US | disclosed |
| US-4659502-A | LIQUID CRYSTALS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1987-04-21 | — | — | US | disclosed |
| EP-0149208-A2 | Ethane derivatives | MERCK PATENT GmbH (DE) | 1985-07-24 | — | — | EP | disclosed |
| EP-0069257-B1 | LIQUID CRYSTAL DIELECTRIC AND ELECTROOPTICAL DISPLAY DEVICE | MERCK PATENT GmbH (DE) | 1984-09-26 | — | — | EP | disclosed |
| US-4472292-A | Liquid crystalline dielectric, new dichroitic naphthoquinone dyestuffs and electro-optical indicator element | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1984-09-18 | — | — | US | disclosed |
| EP-0069257-A1 | Liquid crystal dielectric and electrooptical display device | MERCK PATENT GmbH (DE) | 1983-01-12 | — | — | EP | disclosed |