⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6608099 | 0.83 | ALDH1A1 (0.30) | — | |
| SCHEMBL3304649 | 0.81 | — | — | |
| SCHEMBL5387580 | 0.81 | TAAR1 (0.35) | — | |
| SCHEMBL19405556 | 0.80 | — | — | |
| SCHEMBL9528097 | 0.79 | — | — | |
| SCHEMBL9030688 | 0.79 | — | — | |
| SCHEMBL49983 | 0.78 | KIF11 (0.31) | — | |
| SCHEMBL1007445 | 0.78 | — | — | |
| SCHEMBL9532550 | 0.75 | — | — | |
| SCHEMBL8775718 | 0.73 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102850336-A | DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS | OTSUKA PHARMA CO LTD | 2013-01-02 | — | — | CN | disclosed |
| CN-102702182-A | Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders | OTSUKA PHARMA CO LTD | 2012-10-03 | — | — | CN | disclosed |
| CN-102558140-A | Derivatives of 4-piperazin-1-1-yl-4-benzo [b] thiophene suitable for the treatment of cns disorders | OTSUKA PHARMA CO LTD | 2012-07-11 | — | — | CN | disclosed |
| EP-2284169-B1 | Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders | OTSUKA PHARMA CO LTD (JP) | 2012-03-14 | — | — | EP | disclosed |
| CN-101258147-A | 4-piperazin-1-yl-4-benzo [ B ] thiophene derivatives for the treatment of CNS disorders | OTSUKA PHARMA CO LTD (JP) | 2008-09-03 | — | — | 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 |