⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21362400 | 0.87 | — | — | |
| SCHEMBL21352040 | 0.81 | — | — | |
| SCHEMBL20157846 | 0.80 | — | — | |
| SCHEMBL20157391 | 0.80 | — | — | |
| SCHEMBL20158138 | 0.76 | MAPT (0.32) | — | |
| SCHEMBL21362172 | 0.75 | CNR1 (0.30) | — | |
| SCHEMBL20158107 | 0.74 | BAZ2B (0.30) | — | |
| SCHEMBL20157422 | 0.72 | — | — | |
| SCHEMBL21362632 | 0.70 | MAP2K1 (0.30) | — | |
| SCHEMBL20157511 | 0.70 | MAP2K1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3539960-A1 | NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) | 2019-09-18 | — | — | EP | disclosed |