⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL245135 | 0.81 | NOS3 (0.50) | — | |
| SCHEMBL5640712 | 0.79 | — | — | |
| SCHEMBL27013272 | 0.77 | — | — | |
| SCHEMBL245136 | 0.77 | — | — | |
| Ammonia Solution, Strong SCHEMBL1845719 | 0.77 | NOS3 (0.46) | — | |
| SCHEMBL7615368 | 0.77 | — | — | |
| SCHEMBL418597 | 0.74 | KDM4E (0.38) | — | |
| SCHEMBL7220201 | 0.74 | NOS3 (0.43) | — | |
| SCHEMBL1583838 | 0.74 | NOS3 (0.43) | — | |
| SCHEMBL12048608 | 0.74 | KDM4E (0.45) | — |
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-2008047883-A1 | PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2008-04-24 | — | — | WO | disclosed |