⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19021475 | 1.00 | — | — | |
| SCHEMBL24677747 | 1.00 | — | — | |
| SCHEMBL22434076 | 0.78 | — | — | |
| SCHEMBL17794328 | 0.71 | — | — | |
| SCHEMBL24677727 | 0.70 | — | — | |
| SCHEMBL24677735 | 0.68 | PER2 (0.38) | — | |
| SCHEMBL8069745 | 0.67 | ALDH1A1 (0.39) | — | |
| SCHEMBL2743276 | 0.67 | — | — | |
| SCHEMBL8230672 | 0.67 | — | — | |
| SCHEMBL13270430 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20200216419-A1 | BENZIMIDAZOLES FOR USE IN THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES | CAPELLA THERAPEUTICS, INC. | 2020-07-09 | — | — | US | disclosed |