⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6477430 | 1.00 | — | — | |
| SCHEMBL6600715 | 0.93 | — | — | |
| SCHEMBL6477313 | 0.93 | — | — | |
| SCHEMBL17067325 | 0.76 | — | — | |
| SCHEMBL7387755 | 0.74 | CYP1A2 (0.42) | — | |
| SCHEMBL13737422 | 0.67 | — | — | |
| SCHEMBL2904134 | 0.67 | — | — | |
| SCHEMBL23683061 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL2902526 | 0.65 | SLC6A4 (0.32) | — | |
| SCHEMBL8808873 | 0.65 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005099705-A2 | PREPARATION OF IMIDAZOLE DERIVATIVES AND METHODS OF USE | BAYER PHARMACEUTICALS CORPORATION (US) | 2005-10-27 | — | — | WO | disclosed |