⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21397766 | 0.76 | — | — | |
| Amitrole SCHEMBL1187664 | 0.55 | — | — | |
| SCHEMBL15748053 | 0.53 | — | — | |
| SCHEMBL22912355 | 0.52 | — | — | |
| SCHEMBL22761169 | 0.50 | — | — | |
| SCHEMBL21621307 | 0.46 | — | — | |
| SCHEMBL33737 | 0.45 | — | — | |
| SCHEMBL260973 | 0.45 | — | — | |
| Phosphine SCHEMBL11051257 | 0.41 | — | — | |
| SCHEMBL22022765 | 0.41 | — | — |
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-2019180207-A1 | TRAF 6 INHIBITORS | Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) | 2019-09-26 | — | — | WO | disclosed |