⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24041399 | 0.88 | — | — | |
| SCHEMBL19964848 | 0.81 | — | — | |
| SCHEMBL16621831 | 0.75 | — | — | |
| SCHEMBL19964947 | 0.72 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL310712 | 0.72 | — | — | |
| SCHEMBL31470928 | 0.68 | — | — | |
| SCHEMBL1380254 | 0.67 | — | — | |
| SCHEMBL23109298 | 0.66 | — | — | |
| Bromide SCHEMBL7871861 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL7872680 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-3524602-A1 | PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | Shanghai Haihe Pharmaceutical Co., Ltd. (CN) | 2019-08-14 | — | — | EP | disclosed |
| WO-2018045971-A1 | PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海海和药物研究开发有限公司 | 2018-03-15 | — | — | WO | disclosed |