⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1814521 | 0.95 | — | — | |
| SCHEMBL25674 | 0.93 | ALDH1A1 (0.31) | — | |
| SCHEMBL664080 | 0.90 | — | — | |
| SCHEMBL216084 | 0.79 | OPRD1 (0.50) | — | |
| SCHEMBL353050 | 0.75 | OPRL1 (0.46) | — | |
| SCHEMBL663120 | 0.74 | KCNH2 (0.42) | — | |
| SCHEMBL10602015 | 0.74 | ESR1 (0.42) | — | |
| SCHEMBL8297897 | 0.73 | MAOB (0.40) | — | |
| SCHEMBL1414957 | 0.73 | ESR1 (0.32) | — | |
| SCHEMBL8365226 | 0.71 | SLC6A3 (0.44) | — |
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-110036009-A | Substituted pyrrolidines and their use in the treatment of cystic fibrosis | 艾伯维公司 | 2019-07-19 | — | — | CN | disclosed |