⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20176442 | 0.82 | — | — | |
| SCHEMBL22837279 | 0.72 | SLC6A2 (0.33) | — | |
| SCHEMBL20176370 | 0.71 | SLC6A2 (0.31) | — | |
| SCHEMBL20176913 | 0.66 | — | — | |
| SCHEMBL20176359 | 0.64 | SLC6A2 (0.33) | — | |
| SCHEMBL20165481 | 0.64 | SLC6A4 (0.33) | — | |
| SCHEMBL1994314 | 0.60 | MEP1B (0.41) | — | |
| SCHEMBL6513585 | 0.60 | CES2 (0.37) | — | |
| SCHEMBL20176425 | 0.60 | — | — | |
| SCHEMBL20165912 | 0.59 | SLC6A2 (0.31) | — |
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-10875829-B1 | Azetidine derivatives useful as modulators of cortical catecholaminergic neurotransmission | INTEGRATIVE RESEARCH LABORATORIES SWEDEN AB (SE) | 2020-12-29 | — | — | US | disclosed |
| WO-2018091687-A1 | NOVEL AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION | INTEGRATIVE RESEARCH LABORATORIES SWEDEN AB (SE) | 2018-05-24 | — | — | WO | disclosed |