⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3027599 | 0.86 | TSHR (0.34) | — | |
| SCHEMBL27877265 | 0.85 | EPHX2 (0.38) | — | |
| SCHEMBL9574475 | 0.84 | ALDH1A1 (0.37) | — | |
| SCHEMBL731149 | 0.83 | — | — | |
| SCHEMBL1081234 | 0.83 | HTT (0.45) | — | |
| SCHEMBL25402284 | 0.80 | — | — | |
| SCHEMBL5604307 | 0.79 | CA2 (0.34) | — | |
| SCHEMBL5262403 | 0.77 | TSHR (0.43) | — | |
| SCHEMBL2198930 | 0.76 | — | — | |
| SCHEMBL3015883 | 0.76 | TSHR (0.41) | — |
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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102123763-A | Prodrugs of methyl hydrogen fumarate, pharmaceutical compositions thereof, and methods of use thereof | XENOPORT INC | 2011-07-13 | — | — | CN | claimed |
| EP-1698620-B1 | BENZENE COMPOUNDS DISUBSTITUTED WITH CYCLIC GROUPS AT THE 1- AND 2-POSITIONS | EISAI R&D MAN CO LTD (JP) | 2016-09-28 | — | — | EP | disclosed |
| CN-101687860-B | Novel n- (8-heteroaryltetrahydronaphtalene-2yl) or n- (5- heteroarylchromane-3-yl) carboxamide derivatives for the treatment of pain | ASTRAZENECA AB | 2012-07-04 | — | — | CN | disclosed |
| CN-102123763-A | Prodrugs of methyl hydrogen fumarate, pharmaceutical compositions thereof, and methods of use thereof | XENOPORT INC | 2011-07-13 | — | — | CN | disclosed |
| US-7767690-B2 | Amino alcohol derivatives and their use as renin inhibitor | NOVARTIS AG (CH) | 2010-08-03 | — | — | US | disclosed |
| US-20090156589-A1 | 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2009-06-18 | — | — | US | disclosed |
| US-20090118281-A1 | Amino Alcohol Derivatives And Their Use As Renin Inhibitor | NOVARTIS AG (CH) | 2009-05-07 | — | — | US | disclosed |
| US-7425554-B2 | 1,2-di(cyclic)substituted benzene compounds | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2008-09-16 | — | — | US | disclosed |
| US-7410971-B2 | 1,2-di(cyclic)substituted benzene compounds | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2008-08-12 | — | — | US | disclosed |
| EP-1892238-A1 | 1, 2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE | Eisai R&D Management Co., Ltd. (JP) | 2008-02-27 | — | — | EP | disclosed |
| EP-1711456-A2 | AMINO ALCOHOL DERIVATIVES AND THEIR USE AS RENIN INHIBITORS | Speedel Experimenta AG (CH) | 2006-10-18 | — | — | EP | disclosed |
| EP-1698620-A1 | BENZENE COMPOUNDS DISUBSTITUTED WITH CYCLIC GROUPS AT THE 1- AND 2-POSITIONS | Eisai Co., Ltd. (JP) | 2006-09-06 | — | — | EP | disclosed |
| US-20050261291-A1 | 1,2-Di(cyclic)substituted benzene compounds | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2005-11-24 | — | — | US | disclosed |
| WO-2005070870-A2 | AMINO ALCOHOL DERIVATIVES AND THEIR USE AS RENIN INHIBITORS | SPEEDEL EXPERIMENTA AG (CH) | 2005-08-04 | — | — | WO | disclosed |
| EP-0822544-B1 | Optical recording medium | MITSUI CHEMICALS INC (JP) | 2001-01-03 | — | — | EP | disclosed |
| US-6060606-A | OPTICAL RECORDING MEDIUM HAVING AT LEAST A RECORDING LAYER AND A REFLECTIVE LAYER ON A SUBSTRATES; HIGH DENSITY, COMPACT DISKS | MITSUI CHEMICALS, INC. (JP) | 2000-05-09 | — | — | US | disclosed |
| US-5948593-A | CONTAINING A PIPYRROMETHENE METAL CHELATE COMPOUND | MITSUI CHEMICALS, INC. (JP) | 1999-09-07 | — | — | US | disclosed |
| US-5719141-A | HYPOTENSIVE AGENTS | NOVARTIS CORPORATION (US) | 1998-02-17 | — | — | US | disclosed |
| EP-0822544-A1 | Optical recording medium | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1998-02-04 | — | — | EP | disclosed |
| EP-0702004-A2 | 2,9-diamino- and 2-amino-8-carbamoyl-4-hydroxy-alkanoic acid amid derivatives | CIBA-GEIGY AG (CH) | 1996-03-20 | — | — | EP | disclosed |