⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5728876 | 0.79 | — | — | |
| SCHEMBL16619039 | 0.67 | — | — | |
| SCHEMBL2691050 | 0.65 | — | — | |
| SCHEMBL23330767 | 0.60 | MME (0.43) | — | |
| SCHEMBL28241087 | 0.60 | — | — | |
| SCHEMBL14393434 | 0.59 | — | — | |
| SCHEMBL27688415 | 0.59 | — | — | |
| SCHEMBL9511494 | 0.58 | NPC1 (0.35) | — | |
| SCHEMBL909979 | 0.56 | — | — | |
| SCHEMBL19302162 | 0.55 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2668178-B1 | NEW 5-ALKYNYL-PYRIDINES | BOEHRINGER INGELHEIM INT (DE) | 2016-01-20 | — | — | EP | disclosed |
| EP-2668178-A1 | NEW 5-ALKYNYL-PYRIDINES | Boehringer Ingelheim International GmbH (DE) | 2013-12-04 | — | — | EP | disclosed |
| WO-2012101184-A1 | NEW 5-ALKYNYL-PYRIDINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-08-02 | — | — | WO | disclosed |