⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4630906 | 0.86 | — | — | |
| SCHEMBL10975890 | 0.75 | — | — | |
| SCHEMBL1569716 | 0.73 | — | — | |
| SCHEMBL3240887 | 0.73 | — | — | |
| SCHEMBL4528147 | 0.73 | — | — | |
| SCHEMBL4629909 | 0.71 | CA1 (0.33) | — | |
| SCHEMBL4630538 | 0.71 | ALDH1A1 (0.34) | — | |
| SCHEMBL2639869 | 0.71 | ALDH1A1 (0.38) | — | |
| SCHEMBL4630576 | 0.70 | — | — | |
| SCHEMBL4757546 | 0.69 | ALDH1A1 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101258147-B | 4-piperazin-1-yl-4-benzo [ B ] thiophene derivatives for the treatment of CNS disorders | OTSUKA PHARMA CO LTD | 2012-03-21 | — | — | CN | disclosed |
| EP-1919907-A2 | HETEROCYCLIC COMPOUND | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2008-05-14 | — | — | EP | disclosed |
| WO-2007026959-A2 | DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2007-03-08 | — | — | WO | disclosed |