⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28390489 | 1.00 | — | — | |
| SCHEMBL13024358 | 0.76 | CA1 (0.46) | — | |
| SCHEMBL777808 | 0.69 | — | — | |
| SCHEMBL777807 | 0.69 | — | — | |
| SCHEMBL15233626 | 0.67 | — | — | |
| SCHEMBL6126625 | 0.67 | — | — | |
| SCHEMBL50770 | 0.65 | — | — | |
| SCHEMBL9717760 | 0.64 | — | — | |
| SCHEMBL9717763 | 0.64 | — | — | |
| SCHEMBL306147 | 0.64 | — | — |
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-2015175845-A1 | BENZIMIDAZOLE DERIVATIVES AND USES THEREOF | PELOTON THERAPEUTICS, INC. (US) | 2015-11-19 | — | — | WO | disclosed |