⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28276138 | 0.97 | — | — | |
| SCHEMBL3478919 | 0.82 | — | — | |
| SCHEMBL3502688 | 0.82 | — | — | |
| SCHEMBL8860677 | 0.82 | — | — | |
| SCHEMBL9348141 | 0.82 | — | — | |
| SCHEMBL23503287 | 0.80 | GAA (0.52) | — | |
| SCHEMBL3380415 | 0.80 | GAA (0.52) | — | |
| SCHEMBL9495730 | 0.80 | GAA (0.52) | — | |
| SCHEMBL8262448 | 0.80 | GAA (0.52) | — | |
| SCHEMBL7886644 | 0.80 | GAA (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 |
|---|---|---|---|---|---|---|---|
| CN-105636965-A | Sulfur-containing bicyclic compound | ASTELLAS PHARMA INC | 2016-06-01 | — | — | CN | disclosed |