⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL337603 | 0.77 | — | — | |
| SCHEMBL7194087 | 0.73 | — | — | |
| SCHEMBL234006 | 0.69 | — | — | |
| SCHEMBL8537 | 0.64 | — | — | |
| SCHEMBL365012 | 0.63 | — | — | |
| SCHEMBL7794186 | 0.61 | — | — | |
| SCHEMBL8157241 | 0.60 | — | — | |
| SCHEMBL7642444 | 0.59 | — | — | |
| Dimethylamine SCHEMBL6674525 | 0.58 | — | — | |
| SCHEMBL6676276 | 0.56 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5986029-A | POLYMERIZATION CATALYSTS FOR OLEFINS USING TRANSITION METAL COMPLEXES AND COCATALYST | DSM N.V. (NL) | 1999-11-16 | — | — | US | disclosed |