⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18638307 | 0.86 | OR51E2 (0.32) | — | |
| SCHEMBL24103604 | 0.69 | — | — | |
| SCHEMBL25475096 | 0.69 | — | — | |
| SCHEMBL2181673 | 0.62 | — | — | |
| SCHEMBL23330237 | 0.61 | OR51E2 (0.31) | — | |
| SCHEMBL23935932 | 0.59 | — | — | |
| SCHEMBL11023298 | 0.52 | — | — | |
| SCHEMBL23822973 | 0.50 | — | — | |
| SCHEMBL23465758 | 0.49 | — | — | |
| SCHEMBL17301151 | 0.48 | ALDH1A1 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023284838-A1 | AAK1 INHIBITOR AND USE THEREOF | 四川海思科制药有限公司 | 2023-01-19 | — | — | WO | disclosed |
| WO-2022237747-A1 | SMALL MOLECULAR CD73 ANTAGONIST AND USE THEREOF | 四川海思科制药有限公司 | 2022-11-17 | — | — | WO | disclosed |
| WO-2022007966-A1 | PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 四川海思科制药有限公司 | 2022-01-13 | — | — | WO | disclosed |
| WO-2021180235-A1 | INHIBITOR OF ENHANCER OF ZESTE HOMOLOGUE 2, AND USE THEREOF | 四川海思科制药有限公司 | 2021-09-16 | — | — | WO | disclosed |
| US-9963458-B2 | Indole and indoline-type piperidine compounds and uses thereof | PURDUE PHARMA L.P. (US) | 2018-05-08 | — | — | US | disclosed |