⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22176837 | 0.85 | — | — | |
| SCHEMBL19579158 | 0.61 | GAA (0.31) | — | |
| SCHEMBL1056990 | 0.56 | — | — | |
| SCHEMBL30092668 | 0.55 | — | — | |
| Hydrochloric Acid SCHEMBL30701021 | 0.54 | — | — | |
| SCHEMBL20118243 | 0.52 | NPC1 (0.30) | — | |
| SCHEMBL3130807 | 0.52 | — | — | |
| SCHEMBL288735 | 0.49 | — | — | |
| SCHEMBL17771899 | 0.49 | — | — | |
| SCHEMBL1521919 | 0.48 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022266258-A1 | COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF IRAK-4 | ARVINAS OPERATIONS, INC. (US) | 2022-12-22 | — | — | WO | disclosed |
| WO-2012038081-A1 | SUBSTITUTED BENZAMIDE COMPOUNDS | Grünenthal GmbH (DE) | 2012-03-29 | — | — | WO | disclosed |