⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25253591 | 0.88 | DGAT1 (0.32) | — | |
| SCHEMBL26460481 | 0.86 | — | — | |
| SCHEMBL26460334 | 0.83 | TRPA1 (0.31) | — | |
| SCHEMBL19629420 | 0.83 | FFAR1 (0.30) | — | |
| SCHEMBL26459129 | 0.81 | LIPG (0.37) | — | |
| SCHEMBL26459317 | 0.81 | — | — | |
| SCHEMBL24896769 | 0.80 | CYP1A2 (0.33) | — | |
| SCHEMBL24896504 | 0.79 | — | — | |
| SCHEMBL30192352 | 0.79 | — | — | |
| SCHEMBL26453292 | 0.79 | — | — |
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-11858912-B2 | Heterocyclic compounds | HOFFMANN-LA ROCHE INC. (US) | 2024-01-02 | — | — | US | disclosed |
| US-20230133845-A1 | NOVEL HETEROCYCLIC COMPOUNDS | HOFFMANN-LA ROCHE INC. (US) | 2023-05-04 | — | — | US | disclosed |