⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1727261 | 0.94 | ALDH1A1 (0.37) | — | |
| SCHEMBL20364823 | 0.85 | ALDH1A1 (0.39) | — | |
| SCHEMBL15015789 | 0.84 | ALDH1A1 (0.44) | — | |
| SCHEMBL193470 | 0.83 | — | — | |
| SCHEMBL19432257 | 0.83 | CHRNA7 (0.31) | — | |
| SCHEMBL8390492 | 0.81 | ALDH1A1 (0.41) | — | |
| SCHEMBL6078671 | 0.80 | — | — | |
| SCHEMBL10707428 | 0.80 | — | — | |
| SCHEMBL15412364 | 0.80 | ALDH1A1 (0.47) | — | |
| SCHEMBL11126139 | 0.80 | MEN1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6794530-B1 | 1,4-ADDITION OF MONOHYDRIC OR POLYHYDRIC ALCOHOLS TO ALPHA , BETA -UNSATURATED NITRILES | BASF AKTIENGESELLSCHAFT (DE) | 2004-09-21 | — | — | US | disclosed |
| EP-0934925-B1 | Process for the preparation of beta-alkoxy nitriles | BASF AG (DE) | 2002-09-25 | — | — | EP | disclosed |
| EP-0934925-A1 | Process for the preparation of beta-alkoxy nitriles | BASF AKTIENGESELLSCHAFT (DE) | 1999-08-11 | — | — | EP | disclosed |