⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL120156 | 0.96 | — | — | |
| SCHEMBL5084321 | 0.92 | — | — | |
| SCHEMBL22688913 | 0.92 | — | — | |
| Phosphine SCHEMBL2571031 | 0.92 | — | — | |
| SCHEMBL3479950 | 0.92 | — | — | |
| SCHEMBL5761100 | 0.92 | — | — | |
| SCHEMBL9124564 | 0.92 | — | — | |
| SCHEMBL3479976 | 0.92 | — | — | |
| SCHEMBL17409640 | 0.92 | — | — | |
| Fluoride SCHEMBL28430441 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109476612-A | Catalyst for curable compositions comprising hexahydrotriazine structural units | SIKA技术股份公司 | 2019-03-15 | — | — | CN | disclosed |