⚠ 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 | |
|---|---|---|---|---|
| Tetrachloroethylene SCHEMBL8027970 | 1.00 | TSHR (1.00) | — | |
| Tetrachloroethylene SCHEMBL1332648 | 1.00 | — | — | |
| Tetrachloroethylene SCHEMBL1333241 | 1.00 | — | — | |
| Tetrachloroethylene SCHEMBL23022 | 1.00 | — | — | |
| Tetrachloroethylene SCHEMBL8508058 | 1.00 | TSHR (1.00) | — | |
| Tetrachloroethylene SCHEMBL10592952 | 0.91 | — | — | |
| Tetrachloroethylene SCHEMBL5827189 | 0.91 | — | — | |
| Tetrachloroethylene SCHEMBL170654 | 0.91 | — | — | |
| Tetrachloroethylene SCHEMBL9402096 | 0.91 | — | — | |
| Tetrachloroethylene SCHEMBL4639552 | 0.91 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20050066453-A1 | Photochromic dye | NEW PRISMATIC ENTERPRISE CO., LTD. (TW) | 2005-03-31 | — | — | US | disclosed |