⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16212412 | 0.87 | — | — | |
| SCHEMBL737055 | 0.79 | CHRM2 (0.40) | — | |
| SCHEMBL736668 | 0.77 | — | — | |
| SCHEMBL736535 | 0.75 | CHRM2 (0.36) | — | |
| SCHEMBL736330 | 0.73 | SLC6A3 (0.31) | — | |
| SCHEMBL2887259 | 0.69 | — | — | |
| SCHEMBL738115 | 0.67 | ALDH1A1 (0.38) | — | |
| SCHEMBL772272 | 0.59 | ACHE (0.37) | — | |
| SCHEMBL2099507 | 0.59 | HRH3 (0.37) | — | |
| SCHEMBL24081431 | 0.57 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8163770-B2 | Benzoxathiin derivative | MSD. K. K. (JP) | 2012-04-24 | — | — | US | disclosed |
| US-8138206-B2 | Piperidine derivative | MSD. K.K. (JP) | 2012-03-20 | — | — | US | disclosed |
| US-20100168156-A1 | Novel Benzoxathiine Derivative | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2010-07-01 | — | — | US | disclosed |
| US-20090137576-A1 | Novel Piperidine Derivative | MSD K.K. (JP) | 2009-05-28 | — | — | US | disclosed |
| EP-1944301-A1 | NOVEL BENZOXATHIIN DERIVATIVE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2008-07-16 | — | — | EP | disclosed |
| EP-1892241-A1 | NOVEL PIPERIDINE DERIVATIVE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2008-02-27 | — | — | EP | disclosed |