⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12661476 | 0.88 | — | — | |
| SCHEMBL27962736 | 0.86 | — | — | |
| SCHEMBL18572391 | 0.71 | — | — | |
| SCHEMBL13246524 | 0.71 | — | — | |
| SCHEMBL18196874 | 0.71 | — | — | |
| SCHEMBL8244611 | 0.71 | — | — | |
| SCHEMBL11318430 | 0.69 | MAPK1 (0.42) | — | |
| SCHEMBL28122676 | 0.68 | — | — | |
| SCHEMBL14302492 | 0.68 | — | — | |
| SCHEMBL4958644 | 0.68 | — | — |
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-102863432-B | CFTR conditioning agent | 沃泰克斯药物股份有限公司 | 2016-09-07 | — | — | CN | disclosed |