⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23394722 | 0.91 | — | — | |
| SCHEMBL22180971 | 0.82 | — | — | |
| SCHEMBL22139612 | 0.82 | — | — | |
| SCHEMBL19400583 | 0.79 | — | — | |
| SCHEMBL17970218 | 0.73 | — | — | |
| SCHEMBL14613798 | 0.67 | — | — | |
| SCHEMBL22591871 | 0.61 | — | — | |
| SCHEMBL9719969 | 0.59 | DAO (0.33) | — | |
| SCHEMBL25039107 | 0.59 | CYP19A1 (0.33) | — | |
| SCHEMBL12186307 | 0.57 | — | — |
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-20230270874-A1 | ANTIBODY DRUG CONJUGATE LOADED WITH BINARY TOXINS AND ITS APPLICATION | MABPLEX INTERNATIONAL CO., LTD. (CN) | 2023-08-31 | — | — | US | disclosed |