⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22807063 | 0.90 | — | — | |
| SCHEMBL21807943 | 0.90 | — | — | |
| SCHEMBL87533 | 0.80 | — | — | |
| SCHEMBL28293233 | 0.75 | — | — | |
| SCHEMBL13078874 | 0.70 | METAP2 (0.32) | — | |
| SCHEMBL6411696 | 0.67 | — | — | |
| SCHEMBL2197897 | 0.67 | ALDH1A1 (0.38) | — | |
| SCHEMBL22576375 | 0.67 | — | — | |
| SCHEMBL20523585 | 0.67 | — | — | |
| SCHEMBL3708067 | 0.66 | HTR2C (0.46) | — |
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 |