⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9600348 | 0.88 | S1PR1 (0.35) | — | |
| SCHEMBL292193 | 0.86 | LTA4H (0.30) | — | |
| SCHEMBL9036872 | 0.85 | CCR2 (0.36) | — | |
| SCHEMBL294449 | 0.83 | CXCR4 (0.33) | — | |
| SCHEMBL294844 | 0.76 | CXCR4 (0.33) | — | |
| SCHEMBL292569 | 0.75 | GNAO1 (0.34) | — | |
| SCHEMBL1834553 | 0.75 | BIRC2 (0.41) | — | |
| SCHEMBL7907918 | 0.75 | SLC6A3 (0.32) | — | |
| SCHEMBL9975344 | 0.75 | SLC6A3 (0.32) | — | |
| SCHEMBL294978 | 0.74 | GNAO1 (0.36) | — |
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-8598162-B2 | Derivatives of 4-piperazin-1-yl-4-benzo[B]thiophene suitable for the treatment of CNS disorders | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2013-12-03 | — | — | US | disclosed |
| US-20120028920-A1 | DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS | OTSUKA PHARMACEUTICAL CO., LTD. | 2012-02-02 | — | — | US | disclosed |