⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23189528 | 1.00 | — | — | |
| Propionic Acid SCHEMBL4264189 | 0.88 | FFAR3 (0.33) | — | |
| SCHEMBL7120876 | 0.82 | — | — | |
| Bromide SCHEMBL31070250 | 0.82 | — | — | |
| SCHEMBL30174149 | 0.80 | — | — | |
| Bromide SCHEMBL31070248 | 0.79 | — | — | |
| SCHEMBL9154631 | 0.78 | — | — | |
| SCHEMBL1781070 | 0.78 | — | — | |
| SCHEMBL1978762 | 0.78 | — | — | |
| SCHEMBL960448 | 0.78 | — | — |
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-20070172673-A1 | Coating agents and plastic body with an antigraffiti effect and method for the production thereof | ROEHM GMBH & CO.KG (DE) | 2007-07-26 | — | — | US | disclosed |