⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7601561 | 0.81 | GFER (0.37) | — | |
| SCHEMBL7560092 | 0.81 | LMNA (0.39) | — | |
| SCHEMBL7604451 | 0.80 | TP53 (0.35) | — | |
| SCHEMBL7558469 | 0.79 | NAMPT (0.32) | — | |
| SCHEMBL13081566 | 0.76 | ALDH1A1 (0.40) | — | |
| SCHEMBL7605162 | 0.76 | ALDH1A1 (0.40) | — | |
| SCHEMBL7575378 | 0.76 | ALDH1A1 (0.46) | — | |
| SCHEMBL7604780 | 0.76 | BACE1 (0.39) | — | |
| SCHEMBL7604386 | 0.76 | CYP1A2 (0.33) | — | |
| SCHEMBL7562841 | 0.75 | GAA (0.44) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7763609-B2 | Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example | SCHERING CORPORATION (US) | 2010-07-27 | — | — | US | disclosed |
| US-20080200445-A1 | Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example | SCHERING CORPORATION & PHARMACOPEIA DRUG DISCOVERY, INC. | 2008-08-21 | — | — | US | disclosed |