⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11959860 | 1.00 | — | — | |
| SCHEMBL12854158 | 0.76 | — | — | |
| SCHEMBL16186177 | 0.76 | — | — | |
| SCHEMBL24416406 | 0.71 | — | — | |
| SCHEMBL21961225 | 0.71 | — | — | |
| SCHEMBL21961235 | 0.71 | — | — | |
| SCHEMBL2947883 | 0.62 | — | — | |
| SCHEMBL14384432 | 0.60 | — | — | |
| SCHEMBL2743829 | 0.60 | — | — | |
| SCHEMBL18083770 | 0.59 | — | — |
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-20210017183-A1 | TRAF 6 INHIBITORS | HELMHOLTZ ZENTRUM MUENCHEN - DEUTSCHES FORSCHUNGSZENTRUM FUER GESUNDHEIT UND UMWELT (GMBH) (DE) | 2021-01-21 | — | — | US | disclosed |