⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4604253 | 0.79 | — | — | |
| SCHEMBL216366 | 0.78 | — | — | |
| SCHEMBL26089487 | 0.78 | ALDH1A1 (0.39) | — | |
| Water SCHEMBL21725015 | 0.75 | ALDH1A1 (0.37) | — | |
| SCHEMBL891845 | 0.73 | — | — | |
| SCHEMBL196347 | 0.73 | CA2 (0.40) | — | |
| SCHEMBL1135458 | 0.73 | — | — | |
| SCHEMBL4758128 | 0.73 | — | — | |
| SCHEMBL11635042 | 0.73 | — | — | |
| SCHEMBL28130620 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-120192484-A | Method for grafting anionic copolymer on surface of metal material through surface initiated polymerization | 复旦大学 | 2025-06-24 | — | — | CN | disclosed |
| US-6774266-B2 | Process for producing 1,1,1-trifluoroacetone | CENTRAL GLASS COMPANY, LIMITED (JP) | 2004-08-10 | — | — | US | disclosed |
| US-20030114713-A1 | Process for producing 1,1,1- trifluoroacetone | CENTRAL GLASS COMPANY, LIMITED (JP) | 2003-06-19 | — | — | US | disclosed |