⚠ 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 | |
|---|---|---|---|---|
| Carbon Tetrachloride SCHEMBL10754436 | 0.93 | — | — | |
| Tetrachloroethylene SCHEMBL9722579 | 0.80 | TSHR (0.62) | — | |
| Carbon Tetrachloride SCHEMBL27447848 | 0.80 | — | — | |
| Carbon Tetrachloride SCHEMBL11732614 | 0.76 | — | — | |
| Hypochlorous Acid SCHEMBL729658 | 0.76 | — | — | |
| Hypochlorous Acid SCHEMBL8434801 | 0.76 | — | — | |
| SCHEMBL5056 | 0.76 | — | — | |
| Carbon Tetrachloride SCHEMBL100 | 0.76 | — | — | |
| Carbon Tetrachloride SCHEMBL8874630 | 0.76 | TSHR (1.00) | — | |
| Carbon Tetrachloride SCHEMBL3648805 | 0.76 | — | — |
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-109402730-A | A kind of equipment of real-time observation directional solidification process | 昆明理工大学 | 2019-03-01 | — | — | CN | disclosed |