⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL847661 | 0.78 | — | — | |
| SCHEMBL560454 | 0.72 | ALDH1A1 (0.59) | — | |
| SCHEMBL29216597 | 0.71 | — | — | |
| SCHEMBL10784181 | 0.69 | TP53 (0.35) | — | |
| SCHEMBL8555332 | 0.69 | — | — | |
| SCHEMBL331716 | 0.69 | — | — | |
| SCHEMBL2801206 | 0.69 | — | — | |
| SCHEMBL11791931 | 0.68 | LMNA (0.50) | — | |
| SCHEMBL24803058 | 0.67 | — | — | |
| SCHEMBL374821 | 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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2356101-B1 | PYRIMIDINE- AND TRIAZINE-SULFONAMIDE DERIVATIVES AS BRADYKININ B1 RECEPTOR (B1R) INHIBITORS FOR THE TREATMENT OF PAIN | GRUENENTHAL GMBH (DE) | 2013-02-27 | — | — | EP | disclosed |
| US-8269000-B2 | Substituted pyrimidine and triazine compounds | GRUENENTHAL GMBH (DE) | 2012-09-18 | — | — | US | disclosed |
| EP-2356101-A1 | PYRIMIDINE AND TRIAZINE SULFONAMIDE DERIVATES AS B1 BRADYKININ RECEPTOR (B1R) INHIBITORS FOR TREATING PAIN | Grünenthal GmbH (DE) | 2011-08-17 | — | — | EP | disclosed |
| US-20100173889-A1 | Substituted Pyrimidine and Triazine Compounds | GRUENENTHAL GMBH (DE) | 2010-07-08 | — | — | US | disclosed |
| WO-2010046109-A1 | PYRIMIDINE AND TRIAZINE SULFONAMIDE DERIVATES AS B1 BRADYKININ RECEPTOR (B1R) INHIBITORS FOR TREATING PAIN | Grünenthal GmbH (DE) | 2010-04-29 | — | — | WO | disclosed |
| US-7429680-B2 | Synthesis of sterically hindered secondary aminoether alcohols | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) | 2008-09-30 | — | — | US | disclosed |
| US-20070219400-A1 | Synthesis of Sterically Hindered Secondary Aminoether Alcohols | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY | 2007-09-20 | — | — | US | disclosed |
| US-4199573-A | EFFECTIVE AGAINST GRAMNEGATIVE BACTERIA | GRUNENTHAL GMBH (DE) | 1980-04-22 | — | — | US | disclosed |
| US-4112077-A | BACTERICIDES | WERSCH HUBERT MARIA AGNES VAN | 1978-09-05 | — | — | US | disclosed |