⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28295039 | 0.74 | NQO1 (0.32) | — | |
| SCHEMBL28630287 | 0.74 | ALOX15 (0.31) | — | |
| SCHEMBL28630885 | 0.72 | DGAT1 (0.34) | — | |
| SCHEMBL19920765 | 0.70 | TACR1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL19900678 | 0.68 | TACR1 (0.34) | — | |
| SCHEMBL29188765 | 0.68 | — | — | |
| SCHEMBL29011864 | 0.66 | — | — | |
| SCHEMBL19920642 | 0.64 | — | — | |
| SCHEMBL28510380 | 0.64 | — | — | |
| SCHEMBL23369783 | 0.63 | — | — |
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-113620960-A | Substituted pyrrolizine compounds and uses thereof | 吉利德科学公司 | 2021-11-09 | — | — | CN | disclosed |
| CN-109790168-B | Substituted pyrrolizine compounds and uses thereof | 吉利德科学公司 | 2021-09-17 | — | — | CN | disclosed |