⚠ 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 | |
|---|---|---|---|---|
| Nitrous Acid SCHEMBL28049602 | 0.67 | — | — | |
| SCHEMBL272737 | 0.67 | — | — | |
| SCHEMBL11296179 | 0.67 | — | — | |
| SCHEMBL7771276 | 0.67 | — | — | |
| SCHEMBL7767155 | 0.67 | — | — | |
| SCHEMBL3265175 | 0.67 | — | — | |
| SCHEMBL11763158 | 0.67 | — | — | |
| SCHEMBL29008227 | 0.64 | — | — | |
| SCHEMBL6131269 | 0.64 | — | — | |
| SCHEMBL5694543 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170095504-A1 | Inhibitors of Kidney Stone Formation and Calcium Deposition | SARANGAPANI SHANTHA (US) | 2017-04-06 | — | — | US | disclosed |
| US-6326502-B1 | USING MOLYBDENUM COMPLEX CATALYST | AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) | 2001-12-04 | — | — | US | disclosed |
| US-6248913-B1 | MOLYBDENUM COMPOUNDS WITH BIDENTATE, CYCLICALLY SUBSTITUTED LIGANDS GIVE EXCELLENT YIELDS AND SELECTIVITIES | AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) | 2001-06-19 | — | — | US | disclosed |
| EP-1003732-A1 | METHOD FOR PRODUCING EPOXIDES THROUGH OLEFIN OXIDATION WITH AIR OR OXYGEN | Aventis Research & Technologies GmbH & Co KG (DE) | 2000-05-31 | — | — | EP | disclosed |
| EP-0994750-A1 | CATALYSTS FOR OLEFIN SELECTIVE EPOXIDATION WITH ATMOSPHERIC OXYGEN | Aventis Research & Technologies GmbH & Co. KG (DE) | 2000-04-26 | — | — | EP | disclosed |
| US-5969166-A | RUTHENIUM OR MOLYBDENUM CATALYSTS FOR EPOXIDATION OF ALKENES WITH OXYGEN | HOECHST AKTIENGESELLSCHAFT (DE) | 1999-10-19 | — | — | US | disclosed |
| WO-1999002261-A1 | CATALYSTS FOR OLEFIN SELECTIVE EPOXIDATION WITH ATMOSPHERIC OXYGEN | AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO KG (DE) | 1999-01-21 | — | — | WO | disclosed |
| WO-1999002511-A1 | METHOD FOR PRODUCING EPOXIDES THROUGH OLEFIN OXIDATION WITH AIR OR OXYGEN | AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) | 1999-01-21 | — | — | WO | disclosed |
| EP-0869843-A1 | EPOXIDES PRODUCED BY THE OXIDATION OF OLEFINES WITH AIR OR OXYGEN | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-10-14 | — | — | EP | disclosed |
| WO-1996020788-A1 | EPOXIDES PRODUCED BY THE OXIDATION OF OLEFINES WITH AIR OR OXYGEN | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-07-11 | — | — | WO | disclosed |