⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6810438 | 0.79 | — | — | |
| SCHEMBL18090598 | 0.72 | — | — | |
| SCHEMBL3217381 | 0.71 | — | — | |
| SCHEMBL7054907 | 0.71 | — | — | |
| SCHEMBL7054350 | 0.69 | — | — | |
| SCHEMBL28513197 | 0.67 | — | — | |
| SCHEMBL3093359 | 0.67 | — | — | |
| SCHEMBL14777798 | 0.67 | — | — | |
| SCHEMBL18133672 | 0.66 | — | — | |
| SCHEMBL1396798 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7396930-B2 | making spiro(benzo(c)thiophene-1 (3H),4'-piperidine) derivatives; involves reacting a mercapto compound with a 2-halophenylalkyl halide, reacting with an alkyllithium, then N-ethoxycarbonyl-4-piperidone, dehydration and cyclization; industrial scale; novel intermediates to neurokinin receptor antagonist | SANKYO COMPANY, LIMITED (JP) | 2008-07-08 | — | — | US | disclosed |
| US-20050165037-A1 | Process for producing cyclic thioether and synthetic intermediate thereof | SANKYO COMPANY, LIMITED (JP) | 2005-07-28 | — | — | US | disclosed |
| EP-1533314-A1 | PROCESS FOR PRODUCING CYCLIC THIOETHER AND SYNTHETIC INTERMEDIATE THEREOF | Sankyo Company, Limited (JP) | 2005-05-25 | — | — | EP | disclosed |