⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25516983 | 0.79 | NOS2 (0.39) | — | |
| SCHEMBL18028045 | 0.77 | — | — | |
| SCHEMBL13482801 | 0.75 | — | — | |
| SCHEMBL15525400 | 0.75 | — | — | |
| SCHEMBL13539959 | 0.75 | — | — | |
| SCHEMBL28874060 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL23924526 | 0.74 | PTGS1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL23923850 | 0.74 | PTGS1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL23923852 | 0.74 | PTGS1 (0.39) | — | |
| SCHEMBL16629083 | 0.73 | — | — |
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-2015173341-A1 | DOSAGE PRINCIPLE FOR ANTI-CANCER FURAZANYLBENZIMIDAZOLES | BASILEA PHARMACEUTICA AG (CH) | 2015-11-19 | — | — | WO | disclosed |