⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26511520 | 0.73 | — | — | |
| SCHEMBL24730839 | 0.67 | OPRM1 (0.31) | — | |
| SCHEMBL26500961 | 0.65 | — | — | |
| SCHEMBL23424122 | 0.62 | HMGCR (0.36) | — | |
| SCHEMBL13323634 | 0.61 | CYP1A2 (0.38) | — | |
| SCHEMBL26501383 | 0.61 | EPHX1 (0.32) | — | |
| SCHEMBL26501291 | 0.60 | — | — | |
| SCHEMBL22967780 | 0.60 | SLC6A3 (0.33) | — | |
| SCHEMBL25481636 | 0.59 | NUDT1 (0.33) | — | |
| SCHEMBL14134634 | 0.59 | MAPK1 (0.32) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230321253-A1 | BIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL USES THEREOF | Risen (Suzhou) Pharma Tech Co., Ltd. (CN) | 2023-10-12 | — | — | US | disclosed |