⚠ 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 | |
|---|---|---|---|---|
| Bromoethane SCHEMBL703294 | 0.78 | — | — | |
| SCHEMBL13916486 | 0.76 | — | — | |
| SCHEMBL4418219 | 0.73 | — | — | |
| 1,2-Dibromoethane SCHEMBL1448860 | 0.72 | — | — | |
| N-Propyl Bromide SCHEMBL796355 | 0.70 | — | — | |
| N-Propyl Bromide SCHEMBL796551 | 0.70 | — | — | |
| N-Propyl Bromide SCHEMBL5756591 | 0.67 | — | — | |
| N-Propyl Bromide SCHEMBL2478 | 0.67 | — | — | |
| Butane SCHEMBL31653585 | 0.67 | — | — | |
| N-Propyl Bromide SCHEMBL15864866 | 0.67 | — | — |
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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10335413-B2 | Substituted xanthine derivatives | CONCERT PHARMACEUTICALS, INC. (US) | 2019-07-02 | — | — | US | disclosed |
| US-20180333417-A1 | SUBSTITUTED XANTHINE DERIVATIVES | SUN PHARMACEUTICAL INDUSTRIES, INC. | 2018-11-22 | — | — | US | disclosed |
| US-9918987-B2 | Substituted xanthine derivatives | CONCERT PHARMACEUTICALS, INC. (US) | 2018-03-20 | — | — | US | disclosed |
| EP-3199203-A1 | SUBSTITUED XANTHINE DERIVATIVES | Concert Pharmaceuticals Inc. (US) | 2017-08-02 | — | — | EP | disclosed |
| US-20170027946-A1 | SUBSTITUTED XANTHINE DERIVATIVES | SUN PHARMACEUTICAL INDUSTRIES, INC. | 2017-02-02 | — | — | US | disclosed |
| US-9493463-B2 | Substituted xanthine derivatives | CONCERT PHARMACEUTICALS, INC. (US) | 2016-11-15 | — | — | US | disclosed |
| US-9492457-B2 | Substituted xanthine derivatives | CONCERT PHARMACEUTICALS, INC. (US) | 2016-11-15 | — | — | US | disclosed |
| EP-2963040-A1 | SUBSTITUTED XANTHINE DERIVATIVES | Concert Pharmaceuticals Inc. (US) | 2016-01-06 | — | — | EP | disclosed |
| US-20150322068-A1 | SUBSTITUTED XANTHINE DERIVATIVES | SUN PHARMACEUTICAL INDUSTRIES, INC. | 2015-11-12 | — | — | US | disclosed |
| US-20150272956-A1 | SUBSTITUTED XANTHINE DERIVATIVES | SUN PHARMACEUTICAL INDUSTRIES, INC. | 2015-10-01 | — | — | US | disclosed |
| US-20110077255-A1 | SUBSTITUTED XANTHINE DERIVATIVES | CONCERT PHARMACEUTICALS, INC. | 2011-03-31 | — | — | US | disclosed |
| US-20110059995-A1 | SUBSTITUTED XANTHINE DERIVATIVES | CONCERT PHARMACEUTICALS INC. | 2011-03-10 | — | — | US | disclosed |
| WO-2011028835-A1 | SUBSTITUTED XANTHINE DERIVATIVES | CONCERT PHARMACEUTICALS, INC. (US) | 2011-03-10 | — | — | WO | disclosed |
| WO-2011028922-A1 | SUBSTITUTED XANTHINE DERIVATIVES | CONCERT PHARMACEUTICALS, INC. (US) | 2011-03-10 | — | — | WO | disclosed |
| US-20110053961-A1 | SUBSTITUTED XANTHINE DERIVATIVES | CONCERT PHARMACEUTICALS, INC. | 2011-03-03 | — | — | US | disclosed |
| EP-2265334-A2 | SUBSTITUTED XANTHINE DERIVATIVES | CONCERT PHARMACEUTICALS, INC. (US) | 2010-12-29 | — | — | EP | disclosed |
| EP-2265612-A1 | SUBSTITUTED XANTHINE DERIVATIVES | Concert Pharmaceuticals Inc. (US) | 2010-12-29 | — | — | EP | disclosed |
| US-20090239886-A1 | Substituted xanthine derivatives | CONCERT PHARMACEUTICALS, INC. (US) | 2009-09-24 | — | — | US | disclosed |
| WO-2009108375-A1 | SUBSTITUTED XANTHINE DERIVATIVES | CONCERT PHARMACEUTICALS, INC (US) | 2009-09-03 | — | — | WO | disclosed |
| WO-2009108383-A2 | SUBSTITUTED XANTHINE DERIVATIVES | CONCERT PHARMACEUTICALS, INC. (US) | 2009-09-03 | — | — | WO | disclosed |