⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19964533 | 0.69 | ALDH1A1 (0.48) | — | |
| SCHEMBL19964946 | 0.64 | CYP1A2 (0.35) | — | |
| SCHEMBL21251324 | 0.61 | — | — | |
| SCHEMBL14463968 | 0.61 | — | — | |
| SCHEMBL19964712 | 0.59 | RPS6KB1 (0.34) | — | |
| SCHEMBL15987161 | 0.56 | — | — | |
| SCHEMBL19964543 | 0.53 | — | — | |
| SCHEMBL31287327 | 0.52 | CA1 (0.33) | — | |
| SCHEMBL257509 | 0.52 | — | — | |
| SCHEMBL14464169 | 0.50 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3763712-B1 | INDOLIZINE COMPOUNDS, PREPARATION METHOD AND USE THEREOF | HAIHE BIOPHARMA CO LTD (CN) | 2021-11-24 | — | — | EP | disclosed |
| EP-3763712-A1 | INDOLIZINE COMPOUNDS, PREPARATION METHOD AND USE THEREOF | Shanghai Haihe Pharmaceutical Co., Ltd. (CN) | 2021-01-13 | — | — | EP | disclosed |
| 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 |