⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6652657 | 0.72 | — | — | |
| SCHEMBL28930527 | 0.70 | — | — | |
| SCHEMBL5573314 | 0.68 | — | — | |
| SCHEMBL3838905 | 0.68 | — | — | |
| SCHEMBL3836547 | 0.68 | — | — | |
| SCHEMBL6897885 | 0.67 | — | — | |
| SCHEMBL22557609 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL3747159 | 0.65 | — | — | |
| SCHEMBL12191272 | 0.65 | — | — | |
| SCHEMBL1936664 | 0.65 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1413565-B1 | Method for optical resolution of 3-aminopentanenitrile | SALTIGO GMBH (DE) | 2009-09-30 | — | — | EP | disclosed |
| US-7193102-B2 | Process for the racemate resolution of 3-aminopentanenitrile | BAYER AKTIENGESELLSCHAFT (DE) | 2007-03-20 | — | — | US | disclosed |
| US-20040087811-A1 | Process for the racemate resolution of 3-aminopentanenitrile | LANXESS DEUTSCHLAND GMBH (DE) | 2004-05-06 | — | — | US | disclosed |
| EP-1413565-A2 | Method for optical resolution of 3-aminopentanenitrile | Bayer Chemicals AG (DE) | 2004-04-28 | — | — | EP | disclosed |