⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7787407 | 1.00 | — | — | |
| SCHEMBL221493 | 0.91 | — | — | |
| SCHEMBL221492 | 0.91 | — | — | |
| Acetic Acid SCHEMBL30528137 | 0.89 | — | — | |
| SCHEMBL7790936 | 0.86 | — | — | |
| SCHEMBL2134203 | 0.86 | — | — | |
| SCHEMBL7781958 | 0.84 | — | — | |
| SCHEMBL11868019 | 0.84 | — | — | |
| SCHEMBL7098976 | 0.84 | — | — | |
| SCHEMBL11868013 | 0.84 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0847383-B1 | MULTI-COMPONENT LIQUID AZODINITRILE MIXTURES | DU PONT (US) | 2001-11-07 | — | — | EP | disclosed |
| US-5760192-A | FREE RADICAL, POLYMERIZATION CATALYSTS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1998-06-02 | — | — | US | disclosed |