⚠ 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 | |
|---|---|---|---|---|
| Thiourea SCHEMBL27351654 | 0.82 | — | — | |
| Cyanamide SCHEMBL11168251 | 0.82 | — | — | |
| Thiourea SCHEMBL27764145 | 0.80 | — | — | |
| Thiourea SCHEMBL27818418 | 0.78 | — | — | |
| Thiourea SCHEMBL10634208 | 0.78 | — | — | |
| Thiourea SCHEMBL10602981 | 0.75 | — | — | |
| Cyanamide SCHEMBL11181564 | 0.75 | — | — | |
| Thiourea SCHEMBL27705541 | 0.75 | — | — | |
| Thiourea SCHEMBL8741992 | 0.75 | — | — | |
| Cyanamide SCHEMBL7212152 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105435827-A | Preparation method for ternary-system TiO2/WS2/g-C3N4 composite photocatalyst with visible-light activity | UNIV SOUTH CHINA TECH | 2016-03-30 | — | — | CN | disclosed |