⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31281825 | 0.82 | — | — | |
| SCHEMBL2861731 | 0.82 | — | — | |
| SCHEMBL941467 | 0.80 | — | — | |
| SCHEMBL11162704 | 0.80 | — | — | |
| SCHEMBL3162557 | 0.79 | — | — | |
| SCHEMBL28110616 | 0.78 | TSHR (0.31) | — | |
| SCHEMBL31281037 | 0.77 | — | — | |
| SCHEMBL1765713 | 0.77 | — | — | |
| SCHEMBL31541858 | 0.76 | — | — | |
| SCHEMBL31541859 | 0.76 | — | — |
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-109790168-A | SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF | 吉利德科学公司 | 2019-05-21 | — | — | CN | disclosed |