⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4107789 | 1.00 | — | — | |
| SCHEMBL20618136 | 0.83 | — | — | |
| SCHEMBL13397822 | 0.76 | — | — | |
| SCHEMBL24070903 | 0.76 | SLC6A4 (0.32) | — | |
| SCHEMBL24070907 | 0.76 | SLC6A4 (0.32) | — | |
| SCHEMBL22401894 | 0.75 | HTR2A (0.31) | — | |
| SCHEMBL15101417 | 0.75 | ADH1B (0.32) | — | |
| SCHEMBL15101416 | 0.75 | — | — | |
| SCHEMBL19525402 | 0.74 | OPRD1 (0.32) | — | |
| SCHEMBL1863350 | 0.73 | GRN (0.32) | — |
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-20230032098-A1 | ENCAPSULATED PRO-PERFUME COMPOUNDS | FIRMENICH SA (CH) | 2023-02-02 | — | — | US | disclosed |