⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL454137 | 0.96 | — | — | |
| SCHEMBL14086859 | 0.96 | — | — | |
| SCHEMBL3285270 | 0.92 | — | — | |
| SCHEMBL27658837 | 0.92 | — | — | |
| SCHEMBL27596970 | 0.92 | — | — | |
| Fluoromethane SCHEMBL28813919 | 0.92 | — | — | |
| SCHEMBL27496915 | 0.92 | — | — | |
| SCHEMBL8586410 | 0.92 | — | — | |
| Fluoride SCHEMBL31481331 | 0.92 | — | — | |
| Ethane SCHEMBL3844041 | 0.92 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1746245-B | Low viscosity allophanates containing photocurable groups | BAYER MATERIALSCIENCE AG | 2012-03-07 | — | — | CN | disclosed |
| CN-1746245-A | Low viscosity allophanates containing photocurable groups | BAYER MATERIALSCIENCE AG (DE) | 2006-03-15 | — | — | CN | disclosed |