⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28309058 | 0.86 | — | — | |
| SCHEMBL23304362 | 0.76 | — | — | |
| SCHEMBL19953546 | 0.69 | — | — | |
| SCHEMBL25407480 | 0.69 | — | — | |
| SCHEMBL27642223 | 0.66 | — | — | |
| SCHEMBL25344193 | 0.66 | — | — | |
| SCHEMBL29010229 | 0.66 | TSHR (0.33) | — | |
| SCHEMBL28013139 | 0.66 | — | — | |
| SCHEMBL7737962 | 0.65 | — | — | |
| SCHEMBL28278621 | 0.64 | SRC (0.32) | — |
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-105658655-A | Thieno[2,3-C]pyrans as CFTR modulators | 加拉佩格斯股份有限公司 | 2016-06-08 | — | — | CN | disclosed |