⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL176693 | 0.81 | — | — | |
| SCHEMBL7341626 | 0.79 | CPB2 (0.41) | — | |
| Ammonia Solution, Strong SCHEMBL10336370 | 0.78 | — | — | |
| SCHEMBL8580240 | 0.77 | — | — | |
| SCHEMBL28365073 | 0.76 | TSHR (0.40) | — | |
| SCHEMBL10960259 | 0.75 | — | — | |
| SCHEMBL2723452 | 0.75 | — | — | |
| SCHEMBL10553705 | 0.75 | CPB2 (0.41) | — | |
| SCHEMBL31595979 | 0.74 | — | — | |
| SCHEMBL11210934 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7842832-B2 | β-amino-α-cyanoacrylates and their use as herbicides | BASF SE (DE) | 2010-11-30 | — | — | US | disclosed |
| EP-1458674-B1 | BETA-AMINO-ALPHA-CYANOACRYLATES AND THEIR USE AS HERBICIDES | BASF SE (DE) | 2010-02-24 | — | — | EP | disclosed |
| US-20050054536-A1 | Reacting an cyanoacrylate compound with amidine compound | BASF SE (DE) | 2005-03-10 | — | — | US | disclosed |
| EP-1458674-A1 | BETA-AMINO-ALPHA-CYANOACRYLATES AND THEIR USE AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 2004-09-22 | — | — | EP | disclosed |
| WO-2003051823-A1 | BETA-AMINO-ALPHA-CYANOACRYLATES AND THEIR USE AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 2003-06-26 | — | — | WO | disclosed |