⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4947130 | 0.80 | — | — | |
| SCHEMBL22908209 | 0.74 | — | — | |
| SCHEMBL13879325 | 0.69 | — | — | |
| SCHEMBL19068500 | 0.67 | — | — | |
| SCHEMBL19270306 | 0.67 | — | — | |
| SCHEMBL22488571 | 0.64 | — | — | |
| SCHEMBL22908212 | 0.64 | — | — | |
| SCHEMBL2115873 | 0.64 | — | — | |
| SCHEMBL22057339 | 0.63 | — | — | |
| Bromide SCHEMBL9693309 | 0.61 | PNMT (0.35) | — |
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-2017198734-A1 | PROCESS FOR THE MANUFACTURE OF 6-ALKYNYL-PYRIDINE DERIVATIVES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2017-11-23 | — | — | WO | disclosed |