⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1401808 | 0.97 | — | — | |
| SCHEMBL7271127 | 0.87 | — | — | |
| SCHEMBL3974885 | 0.86 | KMT2A (0.30) | — | |
| SCHEMBL35436 | 0.86 | — | — | |
| SCHEMBL7746412 | 0.84 | — | — | |
| SCHEMBL14319853 | 0.83 | — | — | |
| Ethane SCHEMBL1199897 | 0.83 | — | — | |
| Propane SCHEMBL3976635 | 0.83 | — | — | |
| SCHEMBL20539620 | 0.83 | — | — | |
| Methane SCHEMBL7159879 | 0.83 | — | — |
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-110317230-B | Phosphate derivatives and use thereof | 上海昇悦医药科技有限公司 | 2023-11-07 | — | — | CN | disclosed |
| US-4404239-A | ALPHA-OLEFIN, PRESERVATIVE, ALKYD RESIN | PPG INDUSTRIES, INC. (US) | 1983-09-13 | — | — | US | disclosed |
| US-4360385-A | C20-24 OLEFIN OR PARAFFIN, IONIZABLE COMPOUND, SOLVENT | PPG INDUSTRIES, INC. (US) | 1982-11-23 | — | — | US | disclosed |