⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29363407 | 0.75 | — | — | |
| SCHEMBL22358572 | 0.74 | — | — | |
| SCHEMBL5847294 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL29180799 | 0.72 | — | — | |
| SCHEMBL28942073 | 0.72 | — | — | |
| SCHEMBL12311378 | 0.72 | — | — | |
| SCHEMBL12311377 | 0.72 | — | — | |
| SCHEMBL364115 | 0.72 | — | — | |
| SCHEMBL24848507 | 0.70 | CA12 (0.42) | — | |
| SCHEMBL17374387 | 0.70 | — | — |
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 |