⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4376096 | 0.78 | — | — | |
| SCHEMBL7766625 | 0.74 | — | — | |
| SCHEMBL80644 | 0.74 | — | — | |
| SCHEMBL19062836 | 0.70 | — | — | |
| SCHEMBL7763508 | 0.70 | — | — | |
| SCHEMBL27519239 | 0.69 | — | — | |
| SCHEMBL3062029 | 0.67 | ALDH1A1 (0.62) | — | |
| SCHEMBL4570865 | 0.67 | — | — | |
| SCHEMBL14417495 | 0.66 | SMN1; SMN2 (0.46) | — | |
| SCHEMBL7746750 | 0.65 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012107262-A1 | DIHYDROBENZOPYRAN, THIOCHROMAN, TETRAHYDROQUINOLEINE AND TETRAHYDRONAPHTALENE DERIVATIVES AND THEIR USE IN ANTICANCER THERAPY | UNIVERSITE DE LIEGE (BE) | 2012-08-16 | — | — | WO | disclosed |
| EP-2487171-A1 | Dihydrobenzopyran, thiochroman, tetrahydroquinoleine and tetrahydronaphthalene derivatives and their use in anti-cancer therapy | Université de Liège (BE) | 2012-08-15 | — | — | EP | disclosed |
| EP-1432684-B1 | PYRIDINIC SULFONAMIDE DERIVATIVES, METHOD OF PRODUCTION AND USE THEREOF | UNIV LIEGE (BE) | 2009-03-25 | — | — | EP | disclosed |
| US-20070173534-A1 | Pyridinic sulfonamide derivatives method of production and use thereof | UNIVERSITE DE LIEGE | 2007-07-26 | — | — | US | disclosed |
| US-7226936-B2 | Pyridinic sulfonamide derivatives method of production and use thereof | UNIVERSITY DE LIEGE (BE) | 2007-06-05 | — | — | US | disclosed |
| US-20050020642-A1 | Pyridinic sulfonamide derivatives method of production and use thereof | UNIVERSITE DE LIEGE (BE) | 2005-01-27 | — | — | US | disclosed |
| EP-0536402-A1 | PIPERIDINE DERIVATIVE | NIPPON SHINYAKU COMPANY, LIMITED (JP) | 1993-04-14 | — | — | EP | disclosed |