⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6595412 | 0.79 | HSD11B1 (0.30) | — | |
| SCHEMBL657653 | 0.77 | HSD11B1 (0.35) | — | |
| SCHEMBL19218042 | 0.77 | HSD11B1 (0.34) | — | |
| SCHEMBL2745940 | 0.74 | — | — | |
| SCHEMBL21061213 | 0.72 | POLB (0.38) | — | |
| SCHEMBL11072948 | 0.72 | — | — | |
| SCHEMBL136234 | 0.71 | — | — | |
| SCHEMBL3505529 | 0.70 | POLB (0.36) | — | |
| SCHEMBL931745 | 0.70 | POLB (0.38) | — | |
| SCHEMBL22302808 | 0.68 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1230227-B1 | BENZOXA-AND BENZOTHIAZOLYL SULFAMATES AND THEIR USE AS STEROID SULFATASE INHIBITORS | NOVARTIS AG (CH) | 2004-06-23 | — | — | EP | claimed |
| US-8058475-B2 | Substituted cyclohexylmethyl compounds | GRUENENTHAL GMBH (DE) | 2011-11-15 | — | — | US | disclosed |
| US-8058475-B2 | Substituted cyclohexylmethyl compounds | GRUENENTHAL GMBH (DE) | 2011-11-15 | — | — | US | disclosed |
| EP-1989174-B1 | SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES | GRUENENTHAL GMBH (DE) | 2011-08-03 | — | — | EP | disclosed |
| US-20090286833-A1 | Substituted Cyclohexylmethyl Compounds | GRUENENTHAL GMBH (DE) | 2009-11-19 | — | — | US | disclosed |
| US-20090286833-A1 | Substituted Cyclohexylmethyl Compounds | GRUENENTHAL GMBH (DE) | 2009-11-19 | — | — | US | disclosed |
| WO-2007079930-A1 | SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES | Grünenthal GmbH (DE) | 2007-07-19 | — | — | WO | disclosed |
| EP-1230227-B1 | BENZOXA-AND BENZOTHIAZOLYL SULFAMATES AND THEIR USE AS STEROID SULFATASE INHIBITORS | NOVARTIS AG (CH) | 2004-06-23 | — | — | EP | disclosed |
| EP-1230227-A1 | BENZOXA-AND BENZOTHIAZOLYL SULFAMATES AND THEIR USE AS STEROID SULFATASE INHIBITORS | Novartis AG (CH) | 2002-08-14 | — | — | EP | disclosed |
| WO-2001036398-A1 | BENZOXA- AND BENZTHIAZOLES | NOVARTIS AG (CH) | 2001-05-25 | — | — | WO | disclosed |