⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6542949 | 0.86 | — | — | |
| Potassium Ion SCHEMBL10454272 | 0.86 | — | — | |
| SCHEMBL8641360 | 0.86 | — | — | |
| SCHEMBL10631620 | 0.86 | — | — | |
| SCHEMBL11883101 | 0.86 | — | — | |
| SCHEMBL2112130 | 0.86 | — | — | |
| Formic Acid SCHEMBL1672764 | 0.57 | ALDH1A1 (0.33) | — | |
| Formic Acid SCHEMBL991602 | 0.57 | — | — | |
| Formic Acid SCHEMBL31613052 | 0.57 | — | — | |
| Formic Acid SCHEMBL11699473 | 0.54 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7229602-B2 | Method of preparing metal chalcogenide particles | NATIONAL UNIVERSITY OF SINGAPORE (SG) | 2007-06-12 | — | — | US | disclosed |
| US-20060127302-A1 | Method of preparing metal chalcogenide particles | NATIONAL UNIVERSITY OF SINGAPORE (SG) | 2006-06-15 | — | — | US | disclosed |
| WO-2004108598-A1 | A METHOD OF PREPARING METAL CHALCOGENIDE PARTICLES | NATIONAL UNIVERSITY OF SINGAPORE (SG) | 2004-12-16 | — | — | WO | disclosed |