⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7916781 | 0.77 | — | — | |
| SCHEMBL4151788 | 0.69 | NPC1 (0.32) | — | |
| SCHEMBL3643910 | 0.68 | CA1 (0.39) | — | |
| SCHEMBL4161881 | 0.67 | RXFP1 (0.31) | — | |
| SCHEMBL3534408 | 0.67 | — | — | |
| SCHEMBL25192445 | 0.67 | — | — | |
| SCHEMBL25742594 | 0.67 | — | — | |
| SCHEMBL14698255 | 0.65 | — | — | |
| SCHEMBL3339309 | 0.63 | CYP1A2 (0.37) | — | |
| SCHEMBL1325684 | 0.62 | — | — |
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-20090192278-A1 | Alkene polymerization using beta-ketoiminato metal complexes | CORNELL RESEARCH FOUNDATION INC. (US) | 2009-07-30 | — | — | US | disclosed |
| WO-2006023296-A2 | ALKENE POLYMERIZATION USING BETA-KETOIMINATO METAL COMPLEXES | CORNELL RESEARCH FOUNDATION, INC. (US) | 2006-03-02 | — | — | WO | disclosed |