⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28086 | 0.97 | — | — | |
| SCHEMBL9857336 | 0.95 | — | — | |
| SCHEMBL27678899 | 0.75 | — | — | |
| SCHEMBL11285755 | 0.75 | — | — | |
| SCHEMBL19348074 | 0.75 | TRPA1 (0.42) | — | |
| SCHEMBL1457345 | 0.75 | TRPA1 (0.42) | — | |
| SCHEMBL467841 | 0.72 | — | — | |
| SCHEMBL12608075 | 0.72 | — | — | |
| SCHEMBL950500 | 0.72 | — | — | |
| Diallyl Sulfide SCHEMBL27594427 | 0.72 | ALOX5 (0.65) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0418650-A2 | Biofilm control | PHILLIPS PETROLEUM COMPANY (US) | 1991-03-27 | — | — | EP | claimed |
| US-4929365-A | AQUEOUS STABILIZED CHLORINE DOXIDE, NUTRIENT SOURCE WHICH RESULTS IN GENERATION OF ACIDIC COMPOUND | PHILLIPS PETROLEUM CO. (US) | 1990-05-29 | — | — | US | claimed |
| EP-0418650-A2 | Biofilm control | PHILLIPS PETROLEUM COMPANY (US) | 1991-03-27 | — | — | EP | disclosed |
| US-4929365-A | AQUEOUS STABILIZED CHLORINE DOXIDE, NUTRIENT SOURCE WHICH RESULTS IN GENERATION OF ACIDIC COMPOUND | PHILLIPS PETROLEUM CO. (US) | 1990-05-29 | — | — | US | disclosed |