⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21342279 | 0.81 | — | — | |
| SCHEMBL6396406 | 0.67 | TSHR (0.30) | — | |
| SCHEMBL27477409 | 0.66 | TSHR (0.33) | — | |
| SCHEMBL21251362 | 0.64 | — | — | |
| SCHEMBL22014726 | 0.60 | — | — | |
| SCHEMBL1002540 | 0.60 | — | — | |
| SCHEMBL22817563 | 0.60 | — | — | |
| SCHEMBL24952245 | 0.60 | — | — | |
| SCHEMBL19563107 | 0.60 | — | — | |
| SCHEMBL24783716 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019170063-A1 | INDOLIZINE COMPOUNDS, PREPARATION METHOD AND USE THEREOF | 上海海和药物研究开发有限公司 | 2019-09-12 | — | — | WO | disclosed |