⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8641390 | 1.00 | — | — | |
| SCHEMBL11432789 | 0.78 | BTN3A1 (0.33) | — | |
| SCHEMBL11432791 | 0.78 | BTN3A1 (0.33) | — | |
| SCHEMBL575680 | 0.77 | — | — | |
| SCHEMBL8282463 | 0.77 | — | — | |
| SCHEMBL575679 | 0.77 | — | — | |
| SCHEMBL7589816 | 0.74 | — | — | |
| SCHEMBL2987716 | 0.74 | — | — | |
| SCHEMBL2987718 | 0.74 | — | — | |
| SCHEMBL10376055 | 0.74 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4374069-A | Process for the preparation of trans-3-formylbut-2-enenitrile | ALBERTA RESEARCH COUNCIL (CA) | 1983-02-15 | — | — | US | disclosed |
| US-4361702-A | FROM PYRUVALDEHYDE ACETAL AND ACETONITRILE | ALBERTA RESEARCH COUNCIL (CA) | 1982-11-30 | — | — | US | disclosed |