⚠ 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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL27608416 | 0.90 | TP53 (0.33) | — | |
| Sulfuric Acid SCHEMBL27608415 | 0.90 | TP53 (0.33) | — | |
| SCHEMBL4322515 | 0.83 | — | — | |
| Bromide SCHEMBL28170080 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL9105625 | 0.74 | — | — | |
| Thiosulfuric Acid SCHEMBL28164894 | 0.72 | — | — | |
| Thiosulfuric Acid SCHEMBL19664730 | 0.71 | — | — | |
| Sulfuric Acid SCHEMBL1871312 | 0.70 | CA5A (0.35) | — | |
| Trimethylammonium SCHEMBL27754000 | 0.69 | — | — | |
| SCHEMBL15071410 | 0.69 | — | — |
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-6685769-B1 | INCLUDING SPECIFIED CATIONIC AND NONIONIC SURFACTANTS; STORAGE STABILITY | DEGUSSA-HULS AG (DE) | 2004-02-03 | — | — | US | disclosed |