⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8343771 | 0.77 | — | — | |
| SCHEMBL2289772 | 0.70 | — | — | |
| SCHEMBL4957246 | 0.70 | — | — | |
| SCHEMBL220514 | 0.64 | — | — | |
| SCHEMBL96445 | 0.64 | — | — | |
| Butane SCHEMBL872149 | 0.64 | — | — | |
| Ammonia Solution, Strong SCHEMBL9098311 | 0.61 | — | — | |
| SCHEMBL3364174 | 0.61 | — | — | |
| SCHEMBL8371774 | 0.61 | — | — | |
| SCHEMBL1375574 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1999018138-A1 | PREPARATION AND APPLICATIONS OF FLUORINATED PROPARGYL PHOSPHONATE REAGENTS | UNIVERSITY OF MASSACHUSETTS (US) | 1999-04-15 | — | — | WO | disclosed |