⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9978101 | 0.83 | — | — | |
| SCHEMBL680277 | 0.75 | NLRP3 (0.39) | — | |
| SCHEMBL553402 | 0.73 | — | — | |
| SCHEMBL3382218 | 0.72 | CA1 (0.37) | — | |
| SCHEMBL16629038 | 0.72 | — | — | |
| SCHEMBL23155980 | 0.71 | — | — | |
| SCHEMBL16629035 | 0.71 | — | — | |
| SCHEMBL10187357 | 0.71 | — | — | |
| SCHEMBL13593040 | 0.71 | POLB (0.39) | — | |
| SCHEMBL117521 | 0.71 | — | — |
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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107141293-B | Nitrogen-containing heterocyclic compound, preparation method, intermediate, composition and application | 上海医药集团股份有限公司 | 2022-09-23 | — | — | CN | disclosed |
| CN-115057861-A | Nitrogen-containing heterocyclic compound, preparation method, intermediate, composition and application | 上海医药集团股份有限公司 | 2022-09-16 | — | — | CN | disclosed |
| US-10828305-B2 | Nitrogenous heterocyclic compound, preparation method, intermediate, composition and use | SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) | 2020-11-10 | — | — | US | disclosed |
| US-20190091226-A1 | NITROGENOUS HETEROCYCLIC COMPOUND, PREPARATION METHOD, INTERMEDIATE, COMPOSITION AND USE | SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) | 2019-03-28 | — | — | US | disclosed |
| EP-3424928-A1 | NITROGENOUS HETEROCYCLIC COMPOUND, PREPARATION METHOD, INTERMEDIATE, COMPOSITION AND USE | Shanghai Pharmaceuticals Holding Co., Ltd. (CN) | 2019-01-09 | — | — | EP | disclosed |
| EP-1871347-B1 | PHARMACEUTICAL COMPOSITION | NOVARTIS AG (CH) | 2016-08-03 | — | — | EP | disclosed |
| US-20160143909-A1 | PHARMACEUTICAL COMPOSITION | NOVARTIS AG (CH) | 2016-05-26 | — | — | US | disclosed |
| US-20150283139-A1 | CANCER TREATMENT METHOD | SMITHKLINE BEECHAM CORK LTD (IE) | 2015-10-08 | — | — | US | disclosed |
| US-20140335177-A1 | PHARMACEUTICAL COMPOSITION | NOVARTIS AG (CH) | 2014-11-13 | — | — | US | disclosed |
| US-8821927-B2 | Pharmaceutical composition | SMITHKLINE BEECHAM (CORK) LIMITED (IE) | 2014-09-02 | — | — | US | disclosed |
| US-20100063074-A1 | Cancer Treatment Method | SMITHKLINE BEECHAM (CORK) LIMITED (IE) | 2010-03-11 | — | — | US | disclosed |
| US-20090317383-A1 | Breast cancer combination therapy of lapatinib ditosylate and another agent such as trastuzumab | LEO OSPREY LIMITED (GB) | 2009-12-24 | — | — | US | disclosed |
| US-7592316-B2 | Peptides as NS3-serine protease inhibitors of hepatitis C virus | SCHERING CORPORATION (US) | 2009-09-22 | — | — | US | disclosed |
| US-20090203718-A1 | CANCER TREATMENT METHOD | SMITHKLINE BEECHAM (CORK) LTD. (IE) | 2009-08-13 | — | — | US | disclosed |
| US-20080306097-A1 | Cancer Treatment Method | SMITHKLINE BEECHAM (CORK) LIMITED (IE) | 2008-12-11 | — | — | US | disclosed |
| US-20080206330-A1 | 4-quinazolinamine active ingredient; inhibitor of EGFR and erbB2 protein tyrosine kinase; cancer; tablets manufactured economically, conveniently shipped, stored, dispensed; accurate dosage, ease of administration, portability | NOVARTIS AG (CH) | 2008-08-28 | — | — | US | disclosed |
| US-20080125428-A1 | Cancer Treatment Method | SMITHKLINE BEECHAM (CORK) LIMITED (IE) | 2008-05-29 | — | — | US | disclosed |
| US-20080051422-A1 | 4-Aminoquinazoline derivatives and methods of use thereof | CONCERT PHARMACEUTICALS INC. (US) | 2008-02-28 | — | — | US | disclosed |
| US-7244721-B2 | Peptides as NS3-serine protease inhibitors of hepatitis C virus | SCHERING CORPORATION (US) | 2007-07-17 | — | — | US | disclosed |
| US-20070032433-A1 | Novel peptides as NS3-serine protease inhibitors of hepatitis C virus | SCHERING CORPORATION CORVAS INTERNATIONAL, LTD. | 2007-02-08 | — | — | US | disclosed |