⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19416847 | 1.00 | — | — | |
| SCHEMBL20763392 | 0.76 | — | — | |
| SCHEMBL18677775 | 0.71 | — | — | |
| SCHEMBL19486322 | 0.67 | — | — | |
| SCHEMBL19669627 | 0.67 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL19559082 | 0.67 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL22537640 | 0.66 | — | — | |
| SCHEMBL11855587 | 0.65 | — | — | |
| SCHEMBL18571420 | 0.64 | — | — | |
| SCHEMBL22130554 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20220119401-A1 | CYCLOPROPYLAMINE COMPOUND AS LSD1 INHIBITOR AND USE THEREOF | HELIOEAST SCIENCE & TECHNOLOGY CO., LTD. (CN) | 2022-04-21 | — | — | US | disclosed |
| US-20210323979-A1 | PYRROLO[2,1-F][1,2,4]TRIAZINE DERIVATIVES SERVING AS SELECTIVE HER2 INHIBITORS AND APPLICATION THEREOF | MEDSHINE DISCOVERY INC. (CN) | 2021-10-21 | — | — | US | disclosed |
| WO-2021127278-A1 | IRAK DEGRADERS AND USES THEREOF | KYMERA THERAPEUTICS, INC. (US) | 2021-06-24 | — | — | WO | disclosed |
| US-10822365-B1 | SGLTS inhibitor and application thereof | SHANDONG DANHONG PHARMACEUTICAL CO., LTD. (CN) | 2020-11-03 | — | — | US | disclosed |
| US-20200317660-A1 | Quinazolinone Compound and Application Thereof | Luoxin Healthcare Science and Technology Development (Beijing) Ltd. (CN) | 2020-10-08 | — | — | US | disclosed |