⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5581285 | 0.81 | — | — | |
| SCHEMBL21616439 | 0.73 | — | — | |
| SCHEMBL17581127 | 0.64 | — | — | |
| SCHEMBL27532911 | 0.60 | — | — | |
| SCHEMBL3859834 | 0.57 | — | — | |
| SCHEMBL3960569 | 0.54 | — | — | |
| SCHEMBL19406186 | 0.52 | — | — | |
| SCHEMBL17581120 | 0.51 | — | — | |
| SCHEMBL1229156 | 0.48 | KDM4E (0.31) | — | |
| SCHEMBL8428241 | 0.47 | — | — |
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-110785159-B | Dual paste type curable dental composition | 可乐丽则武齿科株式会社 | 2023-06-09 | — | — | CN | claimed |
| US-4335052-A | OXIDATION OF CORRESPONDING BENZYL HALIDE WITH TERITARY AMINE OXIDEIN PRESENCE OF WATER | DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) | 1982-06-15 | — | — | US | disclosed |