⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23183091 | 0.68 | — | — | |
| SCHEMBL19848496 | 0.65 | — | — | |
| SCHEMBL13618353 | 0.61 | — | — | |
| SCHEMBL22331130 | 0.61 | — | — | |
| SCHEMBL24119275 | 0.58 | — | — | |
| SCHEMBL23183165 | 0.58 | — | — | |
| SCHEMBL24298264 | 0.58 | — | — | |
| SCHEMBL25014375 | 0.57 | — | — | |
| SCHEMBL25019393 | 0.57 | — | — | |
| SCHEMBL23809976 | 0.56 | — | — |
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-3036228-B1 | NEW 6-ALKYNYL PYRIDINE COMPOUNDS | BOEHRINGER INGELHEIM INT (DE) | 2017-04-19 | — | — | EP | disclosed |