⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20158163 | 0.90 | — | — | |
| SCHEMBL20158078 | 0.80 | — | — | |
| SCHEMBL20158007 | 0.80 | — | — | |
| SCHEMBL21362120 | 0.79 | MAPK14 (0.30) | — | |
| SCHEMBL20157473 | 0.78 | TP53 (0.32) | — | |
| SCHEMBL21362237 | 0.76 | — | — | |
| SCHEMBL20158053 | 0.72 | C5AR1 (0.36) | — | |
| SCHEMBL20157965 | 0.71 | NR1I3 (0.33) | — | |
| SCHEMBL20157633 | 0.68 | CCR9 (0.31) | — | |
| SCHEMBL21362089 | 0.67 | MAPK14 (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 |
|---|---|---|---|---|---|---|---|
| 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 |