⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14721884 | 0.84 | MEN1 (0.34) | — | |
| Hydrochloric Acid SCHEMBL14699548 | 0.84 | HTR2A (0.38) | — | |
| SCHEMBL4913656 | 0.82 | HRH1 (0.44) | — | |
| SCHEMBL8027453 | 0.81 | MAPT (0.39) | — | |
| SCHEMBL14699541 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL14721914 | 0.69 | NUDT1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL15900287 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL7168223 | 0.67 | HTR2A (0.30) | — | |
| SCHEMBL21913839 | 0.65 | SLC6A4 (0.32) | — | |
| SCHEMBL9383946 | 0.63 | CA1 (0.35) | — |
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-2013026455-A1 | PERMANENTLY POSITIVELY CHARGED ANTIDEPRESSANTS | AARHUS UNIVERSITET (DK) | 2013-02-28 | — | — | WO | disclosed |