⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1826261 | 0.97 | — | — | |
| SCHEMBL29097635 | 0.97 | ALDH1A1 (0.39) | — | |
| SCHEMBL10443689 | 0.97 | ALDH1A1 (0.39) | — | |
| SCHEMBL955078 | 0.94 | ALDH1A1 (0.38) | — | |
| SCHEMBL1515237 | 0.93 | — | — | |
| SCHEMBL353610 | 0.86 | — | — | |
| SCHEMBL28026624 | 0.75 | KDM4E (0.30) | — | |
| SCHEMBL4447758 | 0.73 | ALDH1A1 (0.37) | — | |
| SCHEMBL9990466 | 0.73 | — | — | |
| SCHEMBL27586997 | 0.73 | — | — |
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 209 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9090605-B2 | Substituted 5-,6- and 7-membered heterocycles, medicaments containing such compounds, and their use | VITAE PHARMACEUTICALS, INC. (US) | 2015-07-28 | — | — | US | claimed |
| US-20150080363-A1 | SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE | VITAE PHARMACEUTICALS, INC. | 2015-03-19 | — | — | US | claimed |
| US-8933072-B2 | Substituted 5-,6- and 7-membered heterocycles, medicaments containing such compounds, and their use | VITAE PHARMACEUTICALS, INC. (US) | 2015-01-13 | — | — | US | claimed |
| US-20130244993-A1 | SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-09-19 | — | — | US | claimed |
| EP-2582698-A1 | SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE | Vitae Pharmaceuticals, Inc. (US) | 2013-04-24 | — | — | EP | claimed |
| WO-2011159760-A1 | SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE | VITAE PHARMACEUTICALS, INC. (US) | 2011-12-22 | — | — | WO | claimed |
| WO-2008016643-A2 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | CYTOKINETICS, INCORPORATED (US) | 2008-02-07 | — | — | WO | claimed |
| CN-115052856-A | 3-alkoxybenzamide derivative and pest control agent | 组合化学工业株式会社 | 2022-09-13 | — | — | CN | disclosed |
| WO-2021153720-A1 | 3-ALKOXY BENZOIC ACID AMIDE DERIVATIVE, AND PEST CONTROL AGENT | クミアイ化学工業株式会社 | 2021-08-05 | — | — | WO | disclosed |
| US-9090605-B2 | Substituted 5-,6- and 7-membered heterocycles, medicaments containing such compounds, and their use | VITAE PHARMACEUTICALS, INC. (US) | 2015-07-28 | — | — | US | disclosed |
| US-20150080363-A1 | SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE | VITAE PHARMACEUTICALS, INC. | 2015-03-19 | — | — | US | disclosed |
| US-8933072-B2 | Substituted 5-,6- and 7-membered heterocycles, medicaments containing such compounds, and their use | VITAE PHARMACEUTICALS, INC. (US) | 2015-01-13 | — | — | US | disclosed |
| US-8796399-B2 | Polyethersulfone compositions with high heat and good impact resistance | SABIC INNOVATIVE PLASTICS IP B.V. (NL) | 2014-08-05 | — | — | US | disclosed |
| US-4082517-A | CYCLOPENTADIENYL MANGANESE ANTIKNOCK | ETHYL CORPORATION (US) | 1978-04-04 | — | — | US | disclosed |
| US-RE29488-E | CYCLOPENTADIENYL MANGANESE TRICARBONYL, CARBOXYMETHOXY-SUCCINIC ACIDS | ETHYL CORPORATION (US) | 1977-12-06 | — | — | US | disclosed |
| US-4052171-A | FUEL COMPOSITIONS AND ADDITIVE MIXTURES CONTAINING METHANETRICARBOXYLATES FOR REDUCING EXHAUST GAS CATALYST PLUGGING | ETHYL CORPORATION (US) | 1977-10-04 | — | — | US | disclosed |
| US-4005992-A | CYCLOPENTADIENYL MAGNESIUM TRICARBONYL, OXYMETHYLENEMALONIC ACIDS OR ESTERS | ETHYL CORPORATION (US) | 1977-02-01 | — | — | US | disclosed |
| US-4005993-A | CYCLOPENTADIENYL MANGANESE TRICARBONYL, OXYALKYL-MALONIC ACIDS OR ESTERS | ETHYL CORPORATION (US) | 1977-02-01 | — | — | US | disclosed |
| US-3958955-A | CYCLOPENTADIENYL MANGANESE TRICARBONYL ANTIKNOCK | ETHYL CORPORATION (US) | 1976-05-25 | — | — | US | disclosed |
| US-3950145-A | ANTIKNOCK | ETHYL CORPORATION (US) | 1976-04-13 | — | — | US | disclosed |