⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2415286 | 0.93 | MAPT (0.38) | — | |
| SCHEMBL415783 | 0.86 | — | — | |
| SCHEMBL21480703 | 0.85 | CXCR4 (0.48) | — | |
| Hydrochloric Acid SCHEMBL16486635 | 0.84 | — | — | |
| SCHEMBL12958913 | 0.82 | CXCR4 (0.57) | — | |
| SCHEMBL12958890 | 0.82 | CXCR4 (0.57) | — | |
| SCHEMBL969503 | 0.82 | CXCR4 (0.63) | — | |
| SCHEMBL12958921 | 0.82 | CXCR4 (0.57) | — | |
| SCHEMBL12958916 | 0.82 | CXCR4 (0.52) | — | |
| SCHEMBL12958915 | 0.82 | CXCR4 (0.63) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109689654-A | 7-substituted 1-pyridyl-naphthyridine-3-carboxamides and their use | 拜耳医药股份有限公司 | 2019-04-26 | — | — | CN | disclosed |
| CN-107949562-A | The positive allosteric modulators of muscarinic M2 acceptors | 拜耳制药股份公司 | 2018-04-20 | — | — | CN | disclosed |
| US-20170145216-A1 | RHODAMINE-BASED COLORING COMPOSITION | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2017-05-25 | — | — | US | disclosed |
| US-20170145216-A1 | RHODAMINE-BASED COLORING COMPOSITION | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2017-05-25 | — | — | US | disclosed |
| US-20170137553-A1 | GRAFT POLYMER, RESIN COLORED MATTER, METHOD FOR PRODUCING SAME, AND RESIN COMPOSITION CONTAINING RESIN COLORED MATTER | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2017-05-18 | — | — | US | disclosed |
| US-20170137553-A1 | GRAFT POLYMER, RESIN COLORED MATTER, METHOD FOR PRODUCING SAME, AND RESIN COMPOSITION CONTAINING RESIN COLORED MATTER | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2017-05-18 | — | — | US | disclosed |
| EP-3165541-A1 | GRAFT POLYMER, RESIN COLORED MATTER, METHOD FOR PRODUCING SAME, AND RESIN COMPOSITION CONTAINING RESIN COLORED MATTER | Wako Pure Chemical Industries, Ltd. (JP) | 2017-05-10 | — | — | EP | disclosed |
| EP-3124551-A1 | RHODAMINE-BASED COLORING COMPOSITION | Wako Pure Chemical Industries, Ltd. (JP) | 2017-02-01 | — | — | EP | disclosed |
| EP-2099551-A2 | EXTRACTION MEDIUM USED IN A METHOD FOR CAPTURING CARBON DIOXIDE CONTAINED IN A GASEOUS EFFLUENT | IFP (FR) | 2009-09-16 | — | — | EP | disclosed |
| WO-2008068411-A2 | EXTRACTION MEDIUM USED IN A METHOD FOR CAPTURING CARBON DIOXIDE CONTAINED IN A GASEOUS EFFLUENT | IFP (FR) | 2008-06-12 | — | — | WO | disclosed |