⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17341934 | 0.70 | GAA (0.30) | — | |
| SCHEMBL20285395 | 0.69 | — | — | |
| SCHEMBL21394579 | 0.57 | PDE4D (0.50) | — | |
| SCHEMBL13160601 | 0.55 | — | — | |
| SCHEMBL10516967 | 0.54 | — | — | |
| SCHEMBL25080563 | 0.53 | — | — | |
| SCHEMBL8278874 | 0.53 | — | — | |
| SCHEMBL21827213 | 0.51 | — | — | |
| SCHEMBL7339849 | 0.51 | — | — | |
| SCHEMBL8405826 | 0.51 | — | — |
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-20230303546-A1 | Process And Intermediates For The Preparation Of Pyroxasulfone | ADAMA AGAN LTD. (IL) | 2023-09-28 | — | — | US | disclosed |
| US-10676480-B2 | Anti-cancer compounds targeting Ral GTPases and methods of using the same | THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) | 2020-06-09 | — | — | US | disclosed |