⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL45362 | 0.96 | — | — | |
| SCHEMBL12111341 | 0.96 | — | — | |
| SCHEMBL12111337 | 0.96 | — | — | |
| Phosphine SCHEMBL28154723 | 0.92 | — | — | |
| SCHEMBL27639924 | 0.92 | — | — | |
| Fluoride SCHEMBL27501338 | 0.92 | — | — | |
| SCHEMBL18277692 | 0.92 | — | — | |
| Hexane SCHEMBL27407576 | 0.92 | TSHR (0.54) | — | |
| Ammonia Solution, Strong SCHEMBL524152 | 0.92 | — | — | |
| SCHEMBL27348093 | 0.92 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101495432-A | Catalytic processes for making hydrohalopropanes and hydrofluorobutanes | DU PONT (US) | 2009-07-29 | — | — | CN | claimed |
| CN-101495432-A | Catalytic processes for making hydrohalopropanes and hydrofluorobutanes | DU PONT (US) | 2009-07-29 | — | — | CN | disclosed |