⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28982131 | 0.87 | RIPK1 (0.30) | — | |
| SCHEMBL28982110 | 0.86 | — | — | |
| SCHEMBL30295435 | 0.83 | JAK2 (0.41) | — | |
| SCHEMBL28982118 | 0.83 | JAK2 (0.41) | — | |
| SCHEMBL28998917 | 0.78 | GRM5 (0.32) | — | |
| SCHEMBL30228003 | 0.78 | GRM5 (0.32) | — | |
| SCHEMBL25123606 | 0.74 | POLB (0.36) | — | |
| SCHEMBL28998935 | 0.72 | ADCY10 (0.34) | — | |
| SCHEMBL15779037 | 0.69 | MET (0.46) | — | |
| SCHEMBL24828331 | 0.69 | GCGR (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-115916754-A | Heteroaromatic macrocyclic ether chemotherapeutic agents | 纽威伦特公司 | 2023-04-04 | — | — | CN | disclosed |