⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4305096 | 1.00 | — | — | |
| SCHEMBL30285875 | 0.79 | ALDH1A1 (0.38) | — | |
| SCHEMBL1253526 | 0.79 | ALDH1A1 (0.38) | — | |
| SCHEMBL19722916 | 0.77 | — | — | |
| SCHEMBL19188484 | 0.73 | — | — | |
| SCHEMBL23469850 | 0.71 | — | — | |
| SCHEMBL10757830 | 0.71 | — | — | |
| SCHEMBL20825417 | 0.71 | — | — | |
| SCHEMBL10757825 | 0.71 | — | — | |
| SCHEMBL17407459 | 0.71 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3656769-B1 | ARYL-PHOSPHORUS-OXYGEN COMPOUND AS EGFR KINASE INHIBITOR | CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) | 2023-01-25 | — | — | EP | disclosed |
| WO-2022052886-A1 | CD73 INHIBITOR AND APPLICATION THEREOF IN MEDICINE | 贝达药业股份有限公司 | 2022-03-17 | — | — | WO | disclosed |
| WO-2022007677-A1 | CD73 INHIBITOR AND APPLICATION IN PHARMACEUTICAL USE | 贝达药业股份有限公司 | 2022-01-13 | — | — | WO | disclosed |
| EP-3656769-A1 | ARYL-PHOSPHORUS-OXYGEN COMPOUND AS EGFR KINASE INHIBITOR | Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) | 2020-05-27 | — | — | EP | disclosed |
| EP-2906553-B1 | OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI (HETERO )ARYL]-[2-(META BI (HETERO)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES | IDORSIA PHARMACEUTICALS LTD (CH) | 2019-06-26 | — | — | EP | disclosed |