⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL57168 | 0.49 | ALDH1A1 (0.47) | — | |
| SCHEMBL28869033 | 0.45 | — | — | |
| Cyanamide SCHEMBL10338944 | 0.42 | — | — | |
| Thiocyanic Acid SCHEMBL8707645 | 0.42 | — | — | |
| SCHEMBL3859879 | 0.42 | — | — | |
| Cyanamide SCHEMBL1495853 | 0.42 | — | — | |
| Water SCHEMBL21836732 | 0.42 | — | — | |
| Water SCHEMBL79565 | 0.39 | — | — | |
| Water SCHEMBL9418317 | 0.39 | — | — | |
| Water SCHEMBL20969033 | 0.39 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0617021-B1 | Process for the preparation of 2-halogen-5-cyanopyridines | BAYER AG (DE) | 1998-06-24 | — | — | EP | disclosed |
| EP-0607804-B1 | Process for the preparation of 2-amino-5-aminomethylpyridine | BAYER AG (DE) | 1996-07-10 | — | — | EP | disclosed |
| EP-0607803-B1 | Process for the preparation of 6-amino-3-pyridinecarbonitriles | BAYER AG (DE) | 1996-07-10 | — | — | EP | disclosed |
| EP-0617021-A1 | Process for the preparation of 2-halogen-5-cyanopyridines | BAYER AG (DE) | 1994-09-28 | — | — | EP | disclosed |
| EP-0617021-A1 | Process for the preparation of 2-halogen-5-cyanopyridines | BAYER AG (DE) | 1994-09-28 | — | — | EP | disclosed |
| EP-0607804-A1 | Process for the preparation of 2-amino-5-aminomethylpyridine | BAYER AG (DE) | 1994-07-27 | — | — | EP | disclosed |
| EP-0607803-A1 | Process for the preparation of 6-amino-3-pyridinecarbonitriles | BAYER AG (DE) | 1994-07-27 | — | — | EP | disclosed |
| EP-0607803-A1 | Process for the preparation of 6-amino-3-pyridinecarbonitriles | BAYER AG (DE) | 1994-07-27 | — | — | EP | disclosed |