⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5058919 | 0.97 | — | — | |
| SCHEMBL12189795 | 0.95 | OPRM1 (0.40) | — | |
| SCHEMBL6734023 | 0.88 | OPRM1 (0.41) | — | |
| SCHEMBL30575501 | 0.85 | OPRM1 (0.39) | — | |
| SCHEMBL10554106 | 0.83 | — | — | |
| SCHEMBL16037424 | 0.82 | ALDH1A1 (0.41) | — | |
| SCHEMBL15258366 | 0.82 | OPRM1 (0.38) | — | |
| SCHEMBL17618918 | 0.80 | OPRM1 (0.36) | — | |
| SCHEMBL17788978 | 0.80 | — | — | |
| SCHEMBL10687484 | 0.79 | OPRM1 (0.54) | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4060683-A | Preparation of cationic starches and cathionic starches thus produced | NATIONAL STARCH AND CHEMICAL CORPORATION (US) | 1977-11-29 | — | — | US | claimed |
| WO-2022099153-A1 | NOVEL VHL SMALL MOLECULE PROBES | ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) | 2022-05-12 | — | — | WO | disclosed |
| US-20210106944-A1 | ABSORBENT COMPOSITIONS INCLUDING AMINO-SILOXANES | BAKER HUGHES ENERGY SERVICES LLC | 2021-04-15 | — | — | US | disclosed |
| EP-3609604-A1 | ABSORBENT COMPOSITIONS INCLUDING AMINO-SILOXANES | GE Oil & Gas, Inc. (US) | 2020-02-19 | — | — | EP | disclosed |
| CN-106400017-B | Etching solution and the engraving method using it and the substrate that is obtained using the engraving method | 三菱瓦斯化学株式会社 | 2019-07-09 | — | — | CN | disclosed |
| WO-2018190815-A1 | ABSORBENT COMPOSITIONS INCLUDING AMINO-SILOXANES | GE Oil & Gas, Inc. (US) | 2018-10-18 | — | — | WO | disclosed |
| EP-3223821-A1 | SUBSTITUTED PYRIDOBENZODIAZEPINONE-DERIVATIVES AND USE THEREOF | Bayer Pharma Aktiengesellschaft (DE) | 2017-10-04 | — | — | EP | disclosed |
| US-20170217878-A1 | ANTIBACTERIAL AGENTS | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2017-08-03 | — | — | US | disclosed |
| CN-106400017-A | ETCHING SOLUTION FOR ETCHING MULTILAYER THIN FILM COMPRISING COPPER LAYER AND TITANIUM LAYER ETCHING METHOD USING SAID SOLUTION AND SUBSTRATE OBTAINED BY USING SAID METHOD | 三菱瓦斯化学株式会社 | 2017-02-15 | — | — | CN | disclosed |
| WO-2016083276-A1 | SUBSTITUTED PYRIDOBENZODIAZEPINONE-DERIVATIVES AND USE THEREOF | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2016-06-02 | — | — | WO | disclosed |
| WO-2016044585-A1 | ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF | Epizyme, Inc. (US) | 2016-03-24 | — | — | WO | disclosed |
| EP-1630165-B1 | [1,2,4]TRIAZOLO[1,5-a]PYRIMIDIN-2-YLUREA DERIVATIVE AND USE THEREOF | NIPPON KAYAKU KK (JP) | 2010-03-31 | — | — | EP | disclosed |
| US-7598244-B2 | [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 2009-10-06 | — | — | US | disclosed |
| US-20070010515-A1 | [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 2007-01-11 | — | — | US | disclosed |
| EP-1630165-A1 | [1,2,4 ]TRIAZOLO [1,5-A]PYRIMIDIN-2-YLUREA DERIVATIVE AND USE THEREOF | Nippon Kayaku Kabushiki Kaisha (JP) | 2006-03-01 | — | — | EP | disclosed |
| US-4877443-A | 2,4-diamino-6-trifluoromethylpyrimidine compounds useful as herbicides | BAYER AKTIENGESELLSCHAFT (DE) | 1989-10-31 | — | — | US | disclosed |
| EP-0254183-A2 | 2,4-Diaminopyrimidines | BAYER AG (DE) | 1988-01-27 | — | — | EP | disclosed |
| EP-0230244-A2 | 2,4-Diamino-6-halogenoalkyl pyrimidines | BAYER AG (DE) | 1987-07-29 | — | — | EP | disclosed |