⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6258745 | 0.82 | — | — | |
| SCHEMBL6238832 | 0.79 | — | — | |
| SCHEMBL21236199 | 0.76 | LMNA (0.32) | — | |
| SCHEMBL21236200 | 0.76 | LMNA (0.32) | — | |
| SCHEMBL6254770 | 0.72 | GPR84 (0.47) | — | |
| SCHEMBL6238743 | 0.72 | GPR84 (0.47) | — | |
| SCHEMBL6237577 | 0.72 | GPR84 (0.47) | — | |
| SCHEMBL6236417 | 0.72 | GPR84 (0.40) | — | |
| SCHEMBL6258743 | 0.68 | — | — | |
| SCHEMBL6569409 | 0.68 | — | — |
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-2005003759-A1 | A METHOD FOR ANALYSIS OF A BEVERAGE | NATIONAL UNIVERSITY OF SINGAPORE (SG) | 2005-01-13 | — | — | WO | disclosed |