⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28295049 | 0.75 | — | — | |
| SCHEMBL21807943 | 0.71 | — | — | |
| SCHEMBL22807063 | 0.71 | — | — | |
| SCHEMBL87533 | 0.71 | — | — | |
| SCHEMBL13078874 | 0.62 | METAP2 (0.32) | — | |
| SCHEMBL24514624 | 0.61 | — | — | |
| SCHEMBL22308227 | 0.60 | — | — | |
| SCHEMBL19900787 | 0.60 | — | — | |
| SCHEMBL19901032 | 0.60 | — | — | |
| SCHEMBL105252 | 0.60 | RAB9A (0.40) | — |
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-109790168-B | Substituted pyrrolizine compounds and uses thereof | 吉利德科学公司 | 2021-09-17 | — | — | CN | disclosed |
| CN-109790168-A | SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF | 吉利德科学公司 | 2019-05-21 | — | — | CN | disclosed |