⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21034083 | 0.74 | RECQL (0.44) | — | |
| Sulfuric Acid SCHEMBL22462539 | 0.69 | RECQL (0.41) | — | |
| SCHEMBL22462478 | 0.69 | SMN1; SMN2 (0.46) | — | |
| SCHEMBL22462573 | 0.68 | CA12 (0.44) | — | |
| SCHEMBL21034082 | 0.65 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL22462435 | 0.65 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL16296076 | 0.59 | — | — | |
| SCHEMBL5805673 | 0.56 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL3158473 | 0.55 | — | — | |
| SCHEMBL22494207 | 0.51 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107857730-A | A kind of fluorosulfonyl group-containing compound, wherein mesosome, preparation method and application | 中国科学院上海有机化学研究所 | 2018-03-30 | — | — | CN | disclosed |