⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10681570 | 0.75 | CYP2E1 (0.36) | — | |
| SCHEMBL16892250 | 0.67 | — | — | |
| SCHEMBL28181955 | 0.66 | — | — | |
| SCHEMBL1419741 | 0.65 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL25564576 | 0.65 | HCAR2 (0.47) | — | |
| SCHEMBL18116435 | 0.64 | SMN1; SMN2 (0.63) | — | |
| SCHEMBL28165370 | 0.62 | — | — | |
| SCHEMBL3854556 | 0.62 | — | — | |
| SCHEMBL27493002 | 0.62 | — | — | |
| SCHEMBL27579914 | 0.61 | — | — |
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-4681891-A | Dihydro-2,6-dimethyl pyridines, formulations and method of use for treating angina pectoris, high blood pressure or disturbances of cerebral or peripheral blood flow | CASSELLA AKTIENGESELLSCHAFT (DE) | 1987-07-21 | — | — | US | disclosed |