⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13567194 | 1.00 | — | — | |
| SCHEMBL777393 | 0.67 | — | — | |
| SCHEMBL15929899 | 0.67 | — | — | |
| SCHEMBL19287764 | 0.67 | — | — | |
| SCHEMBL6886278 | 0.63 | — | — | |
| SCHEMBL14321933 | 0.63 | — | — | |
| SCHEMBL14496280 | 0.61 | — | — | |
| SCHEMBL13503157 | 0.58 | — | — | |
| SCHEMBL9196111 | 0.56 | — | — | |
| SCHEMBL1262419 | 0.56 | — | — |
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 8 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 |
| US-5412082-A | Conversion of amines to hydroxylamines | YALE UNIVERSITY (US) | 1995-05-02 | — | — | US | disclosed |
| EP-0485517-A1 | SYNTHESIS OF GLYCOSIDES HAVING PREDETERMINED STEREOCHEMISTRY | YALE UNIVERSITY (US) | 1992-05-20 | — | — | EP | disclosed |
| WO-1992007862-A1 | ANTIBIOTICS IMPROVED BY CONJUGATION WITH STEREOSPECIFIC CARBOHYDRTES AND METHODS FOR CARBOHYDRATE STEREOSELECTIVITY | YALE UNIVERSITY (US) | 1992-05-14 | — | — | WO | disclosed |
| EP-0450823-A2 | The conversion of amines to hydroxylamines | YALE UNIVERSITY (US) | 1991-10-09 | — | — | EP | disclosed |
| WO-1991002739-A1 | SYNTHESIS OF GLYCOSIDES HAVING PREDETERMINED STEREOCHEMISTRY | YALE UNIVERSITY (US) | 1991-03-07 | — | — | WO | disclosed |