⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL608547 | 1.00 | — | — | |
| SCHEMBL16390173 | 0.97 | CYP2D6 (0.59) | — | |
| SCHEMBL16390229 | 0.97 | CYP2D6 (0.59) | — | |
| SCHEMBL1117440 | 0.97 | CYP2D6 (0.59) | — | |
| SCHEMBL16390457 | 0.97 | CYP2D6 (0.59) | — | |
| SCHEMBL16390346 | 0.97 | CYP2D6 (0.59) | — | |
| SCHEMBL16390540 | 0.97 | CYP2D6 (0.59) | — | |
| SCHEMBL16390061 | 0.97 | CYP2D6 (0.59) | — | |
| SCHEMBL21660301 | 0.97 | CYP2D6 (0.59) | — | |
| SCHEMBL1117453 | 0.97 | CYP2D6 (0.59) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118388598-A | Labeling precursor, probe, preparation method and application thereof | 苏州大学附属第一医院 | 2024-07-26 | — | — | CN | claimed |
| WO-2023110950-A1 | COMPOSITION FOR LIGHTENING KERATIN FIBRES AND PROCESS FOR LIGHTENING KERATIN FIBRES USING THIS COMPOSITION | L'OREAL (FR) | 2023-06-22 | — | — | WO | disclosed |
| US-20140212934-A1 | BIOLOGICAL SYNTHESIS OF DIFUNCTIONAL HEXANES AND PENTANES FROM CARBOHYDRATE FEEDSTOCKS | CELEXION, LLC (US) | 2014-07-31 | — | — | US | disclosed |
| EP-0520336-A2 | Aldehyde derivatives and their use as calpain inhibitors | FUJIREBIO Inc. (JP) | 1992-12-30 | — | — | EP | disclosed |