⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6887028 | 0.81 | — | — | |
| SCHEMBL20805298 | 0.71 | CEL (0.30) | — | |
| SCHEMBL26372066 | 0.71 | TDO2 (0.32) | — | |
| SCHEMBL2479279 | 0.70 | SLC18A3 (0.47) | — | |
| SCHEMBL694872 | 0.70 | QDPR (0.43) | — | |
| SCHEMBL1053328 | 0.68 | MAOA (0.30) | — | |
| SCHEMBL1053326 | 0.68 | MAOA (0.30) | — | |
| SCHEMBL3880674 | 0.64 | MAOA (0.35) | — | |
| SCHEMBL7844955 | 0.64 | — | — | |
| SCHEMBL7853927 | 0.64 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4419263-A | Liquid crystalline cyclohexylcarbonitrile derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1983-12-06 | — | — | US | claimed |
| WO-2014144836-A2 | CARBAMATE DERIVATIVES OF LACTAM BASED N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) INHIBITORS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2014-09-18 | — | — | WO | disclosed |
| US-6313100-B1 | ANTIBACTERIAL, ANTIPROTOZOA AGENTS | PFIZER INC | 2001-11-06 | — | — | US | 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 |
| EP-0056113-A1 | Cyclohexylcarbonitrile derivatives, dielectrics and electro-optic display device containing them | MERCK PATENT GmbH (DE) | 1982-07-21 | — | — | EP | disclosed |