⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1820195 | 0.79 | FFAR3 (0.37) | — | |
| SCHEMBL27766856 | 0.77 | — | — | |
| SCHEMBL27708887 | 0.72 | — | — | |
| SCHEMBL28207642 | 0.67 | FFAR3 (0.39) | — | |
| SCHEMBL28029244 | 0.66 | CYP3A4 (0.31) | — | |
| SCHEMBL27667767 | 0.62 | GRM4 (0.31) | — | |
| SCHEMBL27550244 | 0.62 | — | — | |
| SCHEMBL29249163 | 0.62 | — | — | |
| SCHEMBL27647193 | 0.61 | GRM4 (0.33) | — | |
| SCHEMBL27647202 | 0.61 | GRM4 (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104321325-B | Pyrrolopyrrole alkanone compound | 诺华股份有限公司 | 2016-11-16 | — | — | CN | disclosed |
| CN-104080787-B | Pyrazolo pyrrolidine compound | 诺华股份有限公司 | 2016-09-14 | — | — | CN | disclosed |