⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8177764 | 1.00 | — | — | |
| SCHEMBL303986 | 1.00 | — | — | |
| SCHEMBL8177763 | 1.00 | — | — | |
| SCHEMBL16554397 | 1.00 | — | — | |
| SCHEMBL2368740 | 1.00 | — | — | |
| SCHEMBL25981810 | 1.00 | — | — | |
| SCHEMBL15656185 | 0.97 | SLC18A3 (0.38) | — | |
| Methane SCHEMBL27652440 | 0.97 | SLC18A3 (0.38) | — | |
| SCHEMBL27867931 | 0.97 | SLC18A3 (0.38) | — | |
| Methane SCHEMBL27507907 | 0.97 | SLC18A3 (0.38) | — |
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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230056447-A1 | TYK2 INHIBITORS AND USES THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2023-02-23 | — | — | US | disclosed |
| WO-2021254384-A1 | NOVEL PYRIDO[2,3-D]PYRIMIDINE-7(8H)-ONE DERIVATIVE | 微境生物医药科技(上海)有限公司 | 2021-12-23 | — | — | WO | disclosed |
| US-9925528-B2 | Catalyst-controlled aliphatic C—H oxidations | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2018-03-27 | — | — | US | disclosed |
| US-9708273-B2 | Aryl methyl benzoquinazolinone M1 receptor positive allosteric modulators | MERCK SHARP & DOHME CORP. (US) | 2017-07-18 | — | — | US | disclosed |
| US-9708273-B2 | Aryl methyl benzoquinazolinone M1 receptor positive allosteric modulators | MERCK SHARP & DOHME CORP. (US) | 2017-07-18 | — | — | US | disclosed |
| US-9586931-B2 | Triazolyl derivatives as Syk inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-03-07 | — | — | US | disclosed |
| US-20160229813-A1 | ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME CORP. (US) | 2016-08-11 | — | — | US | disclosed |
| US-20160229813-A1 | ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME CORP. (US) | 2016-08-11 | — | — | US | disclosed |
| US-20160214097-A1 | CATALYST-CONTROLLED ALIPHATIC C-H OXIDATIONS | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2016-07-28 | — | — | US | disclosed |
| US-20150239866-A1 | TRIAZOLYL DERIVATIVES AS SYK INHIBITORS | MERCK CANADA INC. (CA) | 2015-08-27 | — | — | US | disclosed |
| US-8883810-B2 | Aryl methyl benzoquinazolinone M1 receptor positive allosteric modulators | MERCK SHARP & DOHME CORP. (US) | 2014-11-11 | — | — | US | disclosed |
| US-8883810-B2 | Aryl methyl benzoquinazolinone M1 receptor positive allosteric modulators | MERCK SHARP & DOHME CORP. (US) | 2014-11-11 | — | — | US | disclosed |
| US-8557832-B2 | Aryl methyl benzoquinazolinine M1 receptor positive allosteric modulators | MERCK SHARP & DOHME CORP. (US) | 2013-10-15 | — | — | US | disclosed |
| US-8557832-B2 | Aryl methyl benzoquinazolinine M1 receptor positive allosteric modulators | MERCK SHARP & DOHME CORP. (US) | 2013-10-15 | — | — | US | disclosed |
| EP-2358686-B1 | ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME (US) | 2012-09-26 | — | — | EP | disclosed |
| US-20110224198-A1 | ARYL METHYL BENZOQUINAZOLININE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME LLC | 2011-09-15 | — | — | US | disclosed |
| US-20110224198-A1 | ARYL METHYL BENZOQUINAZOLININE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME LLC | 2011-09-15 | — | — | US | disclosed |
| WO-2011104333-A1 | COMPOSITION FOR OXIDATION OF ORGANIC SUBSTRATES | DSM IP ASSETS B.V. (NL) | 2011-09-01 | — | — | WO | disclosed |
| US-6107528-A | BLEACH AND OXIDATION CATALYST IS PROVIDED COMPRISING A CATALYTICALLY ACTIVE IRON COMPLEX WHICH CAN ACTIVATE HYDROGEN PEROXIDE OR PEROXY ACIDS | REGENTS OF THE UNIVERSITY OF MINNESOTA (US) | 2000-08-22 | — | — | US | disclosed |
| US-5850086-A | Iron complexes for bleach activation and stereospecific oxidation | REGENTS OF THE UNIVERSITY OF MINNESOTA | 1998-12-15 | — | — | US | disclosed |