⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21362131 | 0.80 | BRD4 (0.31) | — | |
| SCHEMBL20157473 | 0.77 | TP53 (0.32) | — | |
| SCHEMBL20157726 | 0.73 | ACHE (0.34) | — | |
| SCHEMBL21362098 | 0.73 | BRD4 (0.37) | — | |
| SCHEMBL20158007 | 0.72 | — | — | |
| SCHEMBL20157926 | 0.69 | BRD4 (0.37) | — | |
| SCHEMBL21362728 | 0.68 | BRD4 (0.36) | — | |
| SCHEMBL21354490 | 0.68 | BRD4 (0.34) | — | |
| SCHEMBL21564841 | 0.68 | DRD4 (0.32) | — | |
| SCHEMBL20157899 | 0.67 | CNR2 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018086605-A1 | NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |