⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1232635 | 0.70 | ACHE (0.32) | — | |
| SCHEMBL10449107 | 0.68 | — | — | |
| SCHEMBL2460964 | 0.68 | — | — | |
| SCHEMBL3661697 | 0.67 | TSHR (0.31) | — | |
| SCHEMBL28335232 | 0.67 | TSHR (0.31) | — | |
| SCHEMBL1305578 | 0.66 | TSHR (0.33) | — | |
| Hydrochloric Acid SCHEMBL28786648 | 0.66 | TSHR (0.30) | — | |
| SCHEMBL14493711 | 0.65 | — | — | |
| SCHEMBL4747481 | 0.64 | TSHR (0.32) | — | |
| SCHEMBL50428 | 0.64 | — | — |
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 |