⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1557225 | 1.00 | — | — | |
| SCHEMBL4469185 | 1.00 | — | — | |
| SCHEMBL5967738 | 0.92 | GPR119 (0.37) | — | |
| SCHEMBL24270846 | 0.89 | TSHR (0.43) | — | |
| SCHEMBL1164553 | 0.83 | KDM4E (0.34) | — | |
| SCHEMBL45941 | 0.83 | KDM4E (0.34) | — | |
| SCHEMBL6618 | 0.83 | — | — | |
| SCHEMBL1343696 | 0.83 | KDM4E (0.34) | — | |
| SCHEMBL31080344 | 0.82 | — | — | |
| SCHEMBL5358055 | 0.82 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0233267-B1 | SMECTIC CRYSTAL PHASES | MERCK PATENT GMBH (DE) | 1994-08-03 | — | — | EP | disclosed |
| US-5075032-A | Electrooptics, switches, displays | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-12-24 | — | — | US | disclosed |
| EP-0259346-B1 | R-1-CYAN-1-R2 -CIS-4-R1 -CYCLOHEXANE COMPOUNDS | MERCK PATENT GmbH (DE) | 1990-04-04 | — | — | EP | disclosed |
| US-4886620-A | Smectic liquid-crystalline phases | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1989-12-12 | — | — | US | disclosed |
| EP-0259346-A1 | r-1-CYAN-1-R2 -CIS-4-R1 -CYCLOHEXANE COMPOUNDS. | MERCK PATENT GMBH (DE) | 1988-03-16 | — | — | EP | disclosed |
| WO-1987005618-A1 | r-1-CYAN-1-R2-CIS-4-R1-CYCLOHEXANE COMPOUNDS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1987-09-24 | — | — | WO | disclosed |
| EP-0233267-A1 | SMECTIC CRYSTAL PHASES. | MERCK PATENT GMBH (DE) | 1987-08-26 | — | — | EP | disclosed |
| WO-1987001717-A2 | SMECTIC CYSTAL PHASES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1987-03-26 | — | — | WO | disclosed |
| EP-0056113-B1 | CYCLOHEXYLCARBONITRILE DERIVATIVES, DIELECTRICS AND ELECTRO-OPTIC DISPLAY DEVICE CONTAINING THEM | MERCK PATENT GmbH (DE) | 1985-05-29 | — | — | EP | disclosed |
| US-4419263-A | Liquid crystalline cyclohexylcarbonitrile derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1983-12-06 | — | — | US | disclosed |
| US-4391731-A | Hydrogenated naphthalenes | HOFFMANN-LA ROCHE INC. (US) | 1983-07-05 | — | — | US | disclosed |
| EP-0056113-A1 | Cyclohexylcarbonitrile derivatives, dielectrics and electro-optic display device containing them | MERCK PATENT GmbH (DE) | 1982-07-21 | — | — | EP | disclosed |
| EP-0047817-A2 | Hydrogenated naphthalines, their preparation and application, and mixtures containing such naphthalines | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1982-03-24 | — | — | EP | disclosed |