⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22295639 | 0.66 | — | — | |
| SCHEMBL19672578 | 0.57 | — | — | |
| SCHEMBL13771602 | 0.56 | — | — | |
| SCHEMBL10207141 | 0.56 | — | — | |
| SCHEMBL15280168 | 0.55 | — | — | |
| SCHEMBL10356905 | 0.53 | — | — | |
| SCHEMBL10146510 | 0.52 | — | — | |
| SCHEMBL8353046 | 0.51 | — | — | |
| SCHEMBL14455077 | 0.50 | — | — | |
| SCHEMBL11984294 | 0.50 | — | — |
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-2012036253-A1 | HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE. | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2012-03-22 | — | — | WO | disclosed |