⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3704604 | 0.84 | — | — | |
| SCHEMBL17004649 | 0.81 | — | — | |
| SCHEMBL17004650 | 0.78 | — | — | |
| SCHEMBL7462033 | 0.73 | HTR6 (0.39) | — | |
| SCHEMBL11361171 | 0.72 | APLNR (0.31) | — | |
| SCHEMBL477225 | 0.72 | — | — | |
| SCHEMBL2497269 | 0.71 | — | — | |
| SCHEMBL477211 | 0.69 | — | — | |
| SCHEMBL477212 | 0.68 | — | — | |
| SCHEMBL3660031 | 0.68 | CA1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2411387-B1 | PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY | VETDC INC (US) | 2015-08-19 | — | — | EP | claimed |