⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8672961 | 1.00 | — | — | |
| SCHEMBL22700408 | 0.85 | TRPA1 (0.40) | — | |
| SCHEMBL18122008 | 0.81 | TRPA1 (0.34) | — | |
| SCHEMBL14015878 | 0.81 | TRPA1 (0.34) | — | |
| SCHEMBL23988624 | 0.79 | — | — | |
| SCHEMBL22628860 | 0.79 | — | — | |
| SCHEMBL8677013 | 0.79 | — | — | |
| SCHEMBL14404280 | 0.78 | — | — | |
| SCHEMBL14539540 | 0.78 | — | — | |
| SCHEMBL16374901 | 0.75 | FUCA1 (0.50) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116020449-B | Palladium catalyst, preparation method thereof and application thereof in preparation of phenolic compounds | 南京理工大学 | 2025-01-03 | — | — | CN | disclosed |
| CN-116020449-A | Palladium catalyst, preparation method thereof and application thereof in preparation of phenolic compounds | 南京理工大学 | 2023-04-28 | — | — | CN | disclosed |
| EP-1477512-B1 | Silicone-modified antimicrobial polymer, antimicrobial agent and antimicrobial resin composition | CHISSO CORP (JP) | 2007-07-25 | — | — | EP | disclosed |
| EP-0880503-A1 | BALANOL ANALOGUES | Phytera Symbion ApS (DK) | 1998-12-02 | — | — | EP | disclosed |
| WO-1997029091-A1 | BALANOL ANALOGUES | PHYTERA SYMBION APS (DK) | 1997-08-14 | — | — | WO | disclosed |