⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3400010 | 0.78 | TDO2 (0.35) | — | |
| SCHEMBL3400335 | 0.77 | TDO2 (0.37) | — | |
| SCHEMBL2321699 | 0.74 | ALDH1A1 (0.37) | — | |
| Hydrochloric Acid SCHEMBL28320459 | 0.73 | TDO2 (0.37) | — | |
| SCHEMBL15427701 | 0.73 | ACHE (0.32) | — | |
| SCHEMBL15417113 | 0.73 | JAK2 (0.36) | — | |
| SCHEMBL3422636 | 0.72 | TDO2 (0.36) | — | |
| SCHEMBL16905150 | 0.70 | PTK2 (0.41) | — | |
| SCHEMBL15195276 | 0.69 | JAK2 (0.34) | — | |
| SCHEMBL19670914 | 0.68 | CYP3A4 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011097491-A1 | BENZIMIDAZOLE ANTIVIRAL AGENTS | GLAXOSMITHKLINE LLC (US) | 2011-08-11 | — | — | WO | disclosed |