⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL955888 | 0.99 | KDM4E (0.31) | — | |
| SCHEMBL954698 | 0.72 | ACHE (0.32) | — | |
| Hydrochloric Acid SCHEMBL956803 | 0.71 | ACHE (0.31) | — | |
| Hydrochloric Acid SCHEMBL4206560 | 0.71 | ALDH1A1 (0.30) | — | |
| SCHEMBL3286452 | 0.69 | SIGMAR1 (0.48) | — | |
| SCHEMBL10978597 | 0.68 | CYP2A6 (0.46) | — | |
| Hydrochloric Acid SCHEMBL17968381 | 0.67 | SIGMAR1 (0.47) | — | |
| SCHEMBL971316 | 0.65 | HTR2A (0.37) | — | |
| SCHEMBL2961433 | 0.65 | TDP1 (0.37) | — | |
| SCHEMBL13183865 | 0.65 | KDM4E (0.41) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101374516-A | Use of substituted 2-imidazole of imidazoline derivatives | HOFFMANN LA ROCHE (CH) | 2009-02-25 | — | — | CN | claimed |
| US-20070197621-A1 | Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives | F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) | 2007-08-23 | — | — | US | claimed |
| US-7875645-B2 | 2-(2-cyclopropyl-benzyl)-4,5-dihydro-1H-imidazole; depression, anxiety disorders, bipolar disorder, attention deficit hyperactivity disorder, stress-related disorders, psychotic disorders such as schizophrenia, neurological diseases such as Parkinson's disease, neurodegenerative disorders | HOFFMAN-LA ROCHE INC. (US) | 2011-01-25 | — | — | US | disclosed |
| CN-101374516-A | Use of substituted 2-imidazole of imidazoline derivatives | HOFFMANN LA ROCHE (CH) | 2009-02-25 | — | — | CN | disclosed |
| EP-1981497-A2 | USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2008-10-22 | — | — | EP | disclosed |
| US-20070197621-A1 | Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives | F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) | 2007-08-23 | — | — | US | disclosed |
| WO-2007085557-A2 | USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2007-08-02 | — | — | WO | disclosed |