⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5972311 | 0.86 | — | — | |
| SCHEMBL11570490 | 0.69 | — | — | |
| SCHEMBL28744472 | 0.67 | CA1 (0.32) | — | |
| SCHEMBL10726469 | 0.67 | CA1 (0.32) | — | |
| SCHEMBL1500629 | 0.67 | — | — | |
| SCHEMBL1500535 | 0.63 | CA2 (0.31) | — | |
| SCHEMBL4450920 | 0.57 | CA1 (0.35) | — | |
| SCHEMBL25290295 | 0.53 | CA1 (0.30) | — | |
| Sulfuric Acid Dimethyl Ester SCHEMBL10876663 | 0.52 | — | — | |
| SCHEMBL28203890 | 0.52 | — | — |
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-4689412-A | ANHYDRIDES OF SULFONIC ACIDS OR SULFURIC ACID HALF ESTERS, CATALYSTS | HULS AKTIENGESELLSCHAFT (DE) | 1987-08-25 | — | — | US | disclosed |