⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27909473 | 0.83 | — | — | |
| SCHEMBL21986677 | 0.81 | GRIK1 (0.41) | — | |
| SCHEMBL14109598 | 0.81 | SLC22A6 (0.47) | — | |
| SCHEMBL1648380 | 0.80 | — | — | |
| SCHEMBL10406953 | 0.80 | — | — | |
| SCHEMBL21930480 | 0.78 | — | — | |
| SCHEMBL21930775 | 0.78 | — | — | |
| SCHEMBL6076325 | 0.78 | — | — | |
| SCHEMBL258152 | 0.78 | SLC22A6 (0.50) | — | |
| SCHEMBL10299824 | 0.76 | CACNA2D1 (0.38) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11840507-B2 | Process for the preparation of phenyl ketones | ARXADA AG (CH) | 2023-12-12 | — | — | US | disclosed |
| CN-117222615-A | Process for the preparation of phenyl ketones | 阿尔萨达股份公司 | 2023-12-12 | — | — | CN | disclosed |
| US-20230242469-A1 | Process for the Preparation of Phenyl Ketones | ARXADA AG (CH) | 2023-08-03 | — | — | US | disclosed |