⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23878152 | 0.80 | HDAC3 (0.34) | — | |
| SCHEMBL27853655 | 0.70 | OPRM1 (0.41) | — | |
| SCHEMBL16908880 | 0.68 | FPR2 (0.40) | — | |
| SCHEMBL24112626 | 0.67 | SLC6A4 (0.43) | — | |
| SCHEMBL1812658 | 0.66 | HDAC6 (0.44) | — | |
| SCHEMBL19029456 | 0.65 | HDAC6 (0.33) | — | |
| SCHEMBL23878151 | 0.65 | OPRM1 (0.40) | — | |
| SCHEMBL20790320 | 0.64 | HDAC1 (0.45) | — | |
| SCHEMBL27857533 | 0.63 | AAK1 (0.34) | — | |
| SCHEMBL14059749 | 0.63 | KDM4E (0.52) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240034729-A9 | HETEROCYCLIC COMPOUND, INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) | 2024-02-01 | — | — | US | disclosed |
| US-20230068538-A1 | HETEROCYCLIC COMPOUND, INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | WUHAN LL SCIENCE & TECHNOLOGY DEVELOPMENT CO LTD (CN) | 2023-03-02 | — | — | US | disclosed |
| EP-3889154-A1 | HETEROCYCLIC COMPOUND INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | Wuhan LL Science And Technology Development Co., Ltd. (CN) | 2021-10-06 | — | — | EP | disclosed |