⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29916509 | 1.00 | — | — | |
| SCHEMBL29541154 | 0.72 | — | — | |
| SCHEMBL160279 | 0.69 | CA12 (0.32) | — | |
| SCHEMBL938149 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL21253632 | 0.65 | NISCH (0.30) | — | |
| SCHEMBL28810895 | 0.65 | — | — | |
| SCHEMBL1939592 | 0.65 | GAA (0.32) | — | |
| SCHEMBL16824824 | 0.64 | — | — | |
| SCHEMBL1395026 | 0.64 | — | — | |
| SCHEMBL30783033 | 0.64 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108699072-B | Process for the preparation of 7H-pyrrolo [2,3-D ] pyrimidine compounds | 硕腾服务有限责任公司 | 2021-02-26 | — | — | CN | disclosed |
| US-10174011-B2 | Heterocyclic compounds, process for preparation of the same and use thereof | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2019-01-08 | — | — | US | disclosed |
| US-20170158680-A1 | HETEROCYCLIC COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2017-06-08 | — | — | US | disclosed |
| US-20170158680-A1 | HETEROCYCLIC COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2017-06-08 | — | — | US | disclosed |
| EP-3115361-A1 | HETEROCYCLIC COMPOUNDS, AND PREPARATION METHOD AND USE THEREOF | Shanghai Institute Of Materia Medica Chinese Academy of Sciences (CN) | 2017-01-11 | — | — | EP | disclosed |
| WO-2015131856-A1 | HETEROCYCLIC COMPOUNDS, AND PREPARATION METHOD AND USE THEREOF | 中国科学院上海药物研究所 | 2015-09-11 | — | — | WO | disclosed |