⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30818522 | 1.00 | — | — | |
| SCHEMBL29475321 | 1.00 | — | — | |
| SCHEMBL30818524 | 0.89 | — | — | |
| SCHEMBL29166147 | 0.85 | — | — | |
| SCHEMBL30818499 | 0.85 | — | — | |
| SCHEMBL2831789 | 0.85 | — | — | |
| SCHEMBL29166118 | 0.80 | — | — | |
| SCHEMBL30818483 | 0.77 | — | — | |
| SCHEMBL4417478 | 0.76 | — | — | |
| SCHEMBL10879862 | 0.76 | — | — |
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-114502142-B | Pharmaceutical composition comprising temperature responsive ionic liquid | 东丽株式会社 | 2023-05-09 | — | — | CN | disclosed |
| US-20090054588-A1 | Fluoride-modified additive for cementitious products, process for its preparation and use thereof | CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) | 2009-02-26 | — | — | US | disclosed |