⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21362530 | 0.78 | CREBBP (0.31) | — | |
| SCHEMBL21551524 | 0.65 | CYP26A1 (0.32) | — | |
| SCHEMBL21352102 | 0.62 | CYP26A1 (0.32) | — | |
| SCHEMBL21352040 | 0.61 | — | — | |
| SCHEMBL22980995 | 0.60 | HDAC6 (0.33) | — | |
| SCHEMBL20157937 | 0.60 | MAP2K2 (0.32) | — | |
| SCHEMBL21362400 | 0.60 | — | — | |
| SCHEMBL21362487 | 0.59 | — | — | |
| SCHEMBL21352133 | 0.58 | MAPT (0.32) | — | |
| SCHEMBL21351943 | 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 |
|---|---|---|---|---|---|---|---|
| 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 |