⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26451877 | 1.00 | — | — | |
| SCHEMBL23722575 | 0.92 | MEN1 (0.47) | — | |
| SCHEMBL26452678 | 0.92 | MEN1 (0.47) | — | |
| SCHEMBL26452051 | 0.92 | — | — | |
| SCHEMBL23721427 | 0.92 | — | — | |
| SCHEMBL23722699 | 0.90 | CTSL (0.51) | — | |
| SCHEMBL26451967 | 0.90 | CTSL (0.51) | — | |
| SCHEMBL24766498 | 0.86 | — | — | |
| SCHEMBL23722361 | 0.86 | — | — | |
| SCHEMBL26452140 | 0.86 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230138310-A1 | PHARMACEUTICAL USE OF ALDEHYDE-BASED COMPOUND | FRONTIER BIOTECHNOLOGIES INC. (CN) | 2023-05-04 | — | — | US | disclosed |
| US-20230138310-A1 | PHARMACEUTICAL USE OF ALDEHYDE-BASED COMPOUND | FRONTIER BIOTECHNOLOGIES INC. (CN) | 2023-05-04 | — | — | US | disclosed |
| EP-4098653-A1 | PHARMACEUTICAL USE OF ALDEHYDE-BASED COMPOUND | Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) | 2022-12-07 | — | — | EP | disclosed |
| WO-2021151265-A1 | PHARMACEUTICAL USE OF ALDEHYDE-BASED COMPOUND | 中国科学院上海药物研究所 | 2021-08-05 | — | — | WO | disclosed |