⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13054379 | 0.88 | AKR1B1 (0.31) | — | |
| SCHEMBL7545160 | 0.88 | AKR1B1 (0.31) | — | |
| SCHEMBL8412181 | 0.87 | AKR1B1 (0.31) | — | |
| SCHEMBL8213350 | 0.85 | ADRA2A (0.30) | — | |
| SCHEMBL7559003 | 0.85 | ADRA2A (0.30) | — | |
| SCHEMBL13054228 | 0.82 | ADRA1D (0.32) | — | |
| SCHEMBL7545436 | 0.82 | ADRA1D (0.32) | — | |
| SCHEMBL13053984 | 0.80 | AKR1B1 (0.30) | — | |
| SCHEMBL7551849 | 0.80 | AKR1B1 (0.30) | — | |
| SCHEMBL13054077 | 0.79 | ESR1 (0.36) | — |
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 |