⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15831101 | 0.88 | — | — | |
| SCHEMBL1996162 | 0.78 | — | — | |
| SCHEMBL7251 | 0.72 | — | — | |
| SCHEMBL7859981 | 0.72 | — | — | |
| SCHEMBL330792 | 0.72 | — | — | |
| SCHEMBL9889392 | 0.72 | — | — | |
| SCHEMBL763851 | 0.72 | — | — | |
| SCHEMBL538106 | 0.72 | — | — | |
| SCHEMBL5928 | 0.72 | — | — | |
| SCHEMBL85676 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20220243178-A1 | METHODS FOR TREATING METABOLIC DISORDERS BY TARGETING ADCY5 | THE BROAD INSTITUTE, INC. | 2022-08-04 | — | — | US | disclosed |
| WO-2007079162-A1 | ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2007-07-12 | — | — | WO | disclosed |