⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27868425 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL7027396 | 0.65 | — | — | |
| Hypochlorous Acid SCHEMBL11410754 | 0.58 | — | — | |
| SCHEMBL7041977 | 0.57 | — | — | |
| Hypochlorous Acid SCHEMBL11415829 | 0.56 | — | — | |
| Propane SCHEMBL27523266 | 0.55 | — | — | |
| Chloromethane SCHEMBL10458728 | 0.54 | — | — | |
| SCHEMBL13609759 | 0.54 | TSHR (0.33) | — | |
| SCHEMBL9132629 | 0.54 | — | — | |
| SCHEMBL991849 | 0.54 | TSHR (0.33) | — |
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-20100036119-A1 | FLUORINATING REAGENTS AND THEIR PREPARATION | LANXESS DEUTSCHLAND GMBH (DE) | 2010-02-11 | — | — | US | disclosed |