⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22561327 | 0.80 | — | — | |
| SCHEMBL20694375 | 0.66 | — | — | |
| SCHEMBL26495445 | 0.65 | KDR (0.31) | — | |
| SCHEMBL24115979 | 0.64 | PKM (0.31) | — | |
| SCHEMBL20614617 | 0.64 | — | — | |
| SCHEMBL23659157 | 0.64 | — | — | |
| SCHEMBL23435045 | 0.63 | GLS (0.37) | — | |
| SCHEMBL20631306 | 0.63 | PKM (0.31) | — | |
| SCHEMBL27410038 | 0.63 | ADRB2 (0.35) | — | |
| SCHEMBL26743850 | 0.62 | GLS (0.35) | — |
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-20230357259-A1 | BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF | SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) | 2023-11-09 | — | — | US | disclosed |