⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8045187 | 0.76 | — | — | |
| SCHEMBL31514269 | 0.72 | NFKB1 (0.38) | — | |
| SCHEMBL1101110 | 0.71 | — | — | |
| SCHEMBL1722817 | 0.68 | — | — | |
| SCHEMBL6315621 | 0.67 | — | — | |
| SCHEMBL2353398 | 0.67 | — | — | |
| SCHEMBL7671729 | 0.67 | — | — | |
| SCHEMBL4010495 | 0.66 | CHRNA7 (0.40) | — | |
| SCHEMBL8814334 | 0.66 | — | — | |
| SCHEMBL10701119 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0320227-B1 | Method of preventing polymer-scale formation | SHINETSU CHEMICAL CO (JP) | 1994-09-07 | — | — | EP | disclosed |
| US-4933399-A | COATING INSIDE OF VESSEL WITH A CATIONIC DYE, DRYING, COATING WITH AN ANIONIC OR AMPHOTERIC POLYMER OR A HYDROXYL-CONTAINING COMPOUND IN A SOLVENT | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1990-06-12 | — | — | US | disclosed |