⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15746849 | 0.65 | — | — | |
| SCHEMBL6533014 | 0.63 | — | — | |
| SCHEMBL7095545 | 0.63 | MAPT (0.31) | — | |
| SCHEMBL8059234 | 0.63 | — | — | |
| SCHEMBL726042 | 0.62 | — | — | |
| SCHEMBL235009 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL3232496 | 0.62 | — | — | |
| SCHEMBL8053960 | 0.60 | — | — | |
| SCHEMBL5692039 | 0.60 | — | — | |
| Ammonia Solution, Strong SCHEMBL23927900 | 0.60 | — | — |
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-5917074-A | Preparation and applications of fluorinated propargyl phosphonate reagents | UNIVERSITY OF MASSACHUSETTS (US) | 1999-06-29 | — | — | US | disclosed |