⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12836156 | 1.00 | — | — | |
| SCHEMBL11964789 | 1.00 | LMNA (0.36) | — | |
| SCHEMBL11613880 | 1.00 | — | — | |
| SCHEMBL11613876 | 1.00 | — | — | |
| SCHEMBL25390359 | 0.87 | — | — | |
| SCHEMBL3268084 | 0.87 | — | — | |
| SCHEMBL10208150 | 0.87 | — | — | |
| SCHEMBL8497535 | 0.87 | — | — | |
| SCHEMBL9543713 | 0.87 | — | — | |
| SCHEMBL10208125 | 0.85 | — | — |
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-20230399314-A1 | CD73 INHIBITOR AND USE THEREOF | Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) | 2023-12-14 | — | — | US | disclosed |
| US-20110065796-A1 | PRODRUGS OF GUANFACINE | SHIRE LLC (US) | 2011-03-17 | — | — | US | disclosed |
| US-20100105682-A1 | CYCLOPROPYL-PIPERAZINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS | ZALICUS PHARMACEUTICALS LTD. (CA) | 2010-04-29 | — | — | US | disclosed |