⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20150 | 0.80 | — | — | |
| SCHEMBL10894639 | 0.69 | — | — | |
| SCHEMBL28346898 | 0.67 | ALDH1A1 (0.62) | — | |
| SCHEMBL2030 | 0.66 | — | — | |
| SCHEMBL125335 | 0.65 | — | — | |
| SCHEMBL3366612 | 0.64 | — | — | |
| Ethyne SCHEMBL11717312 | 0.62 | — | — | |
| SCHEMBL6446971 | 0.59 | — | — | |
| SCHEMBL20168690 | 0.59 | — | — | |
| SCHEMBL9061740 | 0.59 | — | — |
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-1458675-B1 | ALPHA-CYANOACRYLATES | BASF SE (DE) | 2010-02-24 | — | — | EP | disclosed |
| US-20050009706-A1 | Alpha-cyanoacrylates | BASF SE (DE) | 2005-01-13 | — | — | US | disclosed |
| EP-1458675-A1 | ALPHA-CYANOACRYLATES | BASF AKTIENGESELLSCHAFT (DE) | 2004-09-22 | — | — | EP | disclosed |
| WO-2003051824-A1 | α-CYANOACRYLATES | BASF AKTIENGESELLSCHAFT (DE) | 2003-06-26 | — | — | WO | disclosed |