⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1339261 | 0.72 | — | — | |
| SCHEMBL6548728 | 0.68 | — | — | |
| SCHEMBL3187350 | 0.68 | — | — | |
| SCHEMBL158498 | 0.67 | — | — | |
| SCHEMBL9020969 | 0.67 | — | — | |
| SCHEMBL11775414 | 0.67 | — | — | |
| SCHEMBL17433536 | 0.65 | BRD4 (0.68) | — | |
| SCHEMBL14428798 | 0.65 | INMT (0.39) | — | |
| SCHEMBL12033640 | 0.64 | BRD4 (0.34) | — | |
| SCHEMBL23323359 | 0.64 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5268449-A | Containing arylene sulfide and arylene sulfonate segments | PHILLIPS PETROLEUM COMPANY (US) | 1993-12-07 | — | — | US | disclosed |