⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19785444 | 0.74 | — | — | |
| SCHEMBL19335911 | 0.74 | — | — | |
| SCHEMBL24359572 | 0.67 | — | — | |
| SCHEMBL24554570 | 0.65 | NOS3 (0.33) | — | |
| SCHEMBL12166705 | 0.59 | — | — | |
| SCHEMBL918711 | 0.59 | MAPK1 (0.31) | — | |
| SCHEMBL12166709 | 0.59 | FUCA1 (0.39) | — | |
| SCHEMBL22778790 | 0.57 | FUCA1 (0.37) | — | |
| SCHEMBL17588979 | 0.57 | CA1 (0.31) | — | |
| SCHEMBL14303643 | 0.57 | — | — |
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-2022129371-A1 | A SYNERGISTIC PERFUMING COMPOSITION | FIRMENICH SA (CH) | 2022-06-23 | — | — | WO | disclosed |