⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2104149 | 0.80 | HTR2C (0.39) | — | |
| SCHEMBL9105952 | 0.74 | — | — | |
| SCHEMBL6967932 | 0.73 | KMT2A (0.35) | — | |
| SCHEMBL2104696 | 0.72 | CYP19A1 (0.37) | — | |
| SCHEMBL13256930 | 0.71 | CYP3A4 (0.35) | — | |
| SCHEMBL3151286 | 0.70 | KMT2A (0.36) | — | |
| SCHEMBL7799438 | 0.69 | ALOX5 (0.33) | — | |
| SCHEMBL15330642 | 0.69 | ALDH1A1 (0.34) | — | |
| SCHEMBL5801661 | 0.68 | LMNA (0.32) | — | |
| SCHEMBL2105081 | 0.68 | HSD11B1 (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0975602-A4 | IMIDAZOLE AND IMIDAZOLINE DERIVATIVES AND USES THEREOF | GRUENENTHAL GMBH (DE) | 2003-01-22 | — | — | EP | disclosed |
| EP-0975602-A1 | IMIDAZOLE AND IMIDAZOLINE DERIVATIVES AND USES THEREOF | SYNAPTIC PHARMACEUTICAL CORPORATION (US) | 2000-02-02 | — | — | EP | disclosed |
| WO-1998046572-A1 | IMIDAZOLE AND IMIDAZOLINE DERIVATIVES AND USES THEREOF | SYNAPTIC PHARMACEUTICAL CORPORATION (US) | 1998-10-22 | — | — | WO | disclosed |