⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2835611 | 1.00 | — | — | |
| SCHEMBL11597748 | 0.79 | AKT1 (0.50) | — | |
| SCHEMBL15750770 | 0.77 | — | — | |
| SCHEMBL461154 | 0.77 | — | — | |
| SCHEMBL10033306 | 0.77 | — | — | |
| SCHEMBL41826 | 0.77 | — | — | |
| SCHEMBL13039799 | 0.77 | — | — | |
| SCHEMBL1161835 | 0.77 | — | — | |
| SCHEMBL22660275 | 0.77 | — | — | |
| SCHEMBL18131527 | 0.77 | — | — |
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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117412964-A | Substituted heterocyclic compounds and their use | 首药控股(北京)股份有限公司 | 2024-01-16 | — | — | CN | disclosed |
| WO-2022253309-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS AND APPLICATION THEREOF | 首药控股(北京)股份有限公司 | 2022-12-08 | — | — | WO | disclosed |
| EP-3323817-B1 | ANILINE PYRIMIDINE DERIVATIVES AND USES THEREOF | CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) | 2022-10-19 | — | — | EP | disclosed |
| WO-2022127827-A1 | KRASG12C PROTEIN MUTATION INHIBITOR AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | 上海维申医药有限公司 | 2022-06-23 | — | — | WO | disclosed |
| CN-114644631-A | KRAS G12C protein mutation inhibitor, preparation method thereof, pharmaceutical composition and application thereof | 上海维申医药有限公司 | 2022-06-21 | — | — | CN | disclosed |
| CN-109641908-B | Five-membered heterocyclic [3,4-d ] pyridazinone compound, preparation method thereof, pharmaceutical composition and application thereof | 中国科学院上海药物研究所 | 2021-11-19 | — | — | CN | disclosed |
| US-10329277-B2 | N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methoxy-5-((4-(3-methyl-2-OXO-2,3-dihydro-1h-benzo[d]imidazol-1-yl)pyrimidin-2-yl)amino)phenyl)acrylamide hydrochloride as an inhibitor of epidermal growth factor receptor activity | CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) | 2019-06-25 | — | — | US | disclosed |
| US-20190135818-A1 | 5-MEMBERED HETEROCYCLE FUSED WITH [3,4-D] PYRIDAZINONE, AND MANUFACTURING METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF | SHANGHAI INST MATERIA MEDICA CAS (CN) | 2019-05-09 | — | — | US | disclosed |
| EP-3470415-A1 | 5-MEMBERED HETEROCYCLE FUSED WITH [3,4-D]PYRIDAZINONE, AND MANUFACTURING METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF | Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) | 2019-04-17 | — | — | EP | disclosed |
| US-20180208581-A1 | ANILINE PYRIMIDINE DERIVATIVES AND USES THEREOF | CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) | 2018-07-26 | — | — | US | disclosed |
| WO-1999009016-A1 | SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS | AMERICAN CYANAMID COMPANY (US) | 1999-02-25 | — | — | WO | disclosed |
| WO-1998043960-A1 | SUBSTITUTED 3-CYANO QUINOLINES | AMERICAN CYANAMID COMPANY (US) | 1998-10-08 | — | — | WO | disclosed |
| US-5550161-A | COMPOUNDS WHICH CHELATE IRON AND ALUMINUM IONS; TREATMENT OF VARIOUS ANEMIAS, HEMOSIDEROSIS, ALZHEIMER*S DISEASE | ORAL-D (US) | 1996-08-27 | — | — | US | disclosed |
| WO-1992020227-A1 | SUBSTITUTED ORALLY EFFECTIVE ION CHELATORS RELATED TO DEFEROXAMINE | ORAL-D (US) | 1992-11-26 | — | — | WO | disclosed |
| US-5047421-A | Treating trivalent metal overload conditions in humans | ORAL-D (US) | 1991-09-10 | — | — | US | disclosed |
| US-5015664-A | Orally effective ion chelators related to deferoxamine | ORAL D (US) | 1991-05-14 | — | — | US | disclosed |
| US-4684482-A | DEFEROXAMINE DERIVATIVES | ORAL-D (L.P.) (US) | 1987-08-04 | — | — | US | disclosed |
| US-4671901-A | DIFEROXAMINE DERIVATIVES FOR REDUCTION OF METAL ION TUSSUE OV ERLOAD | ORAL-D (US) | 1987-06-09 | — | — | US | disclosed |
| EP-0171414-A1 | ORALLY EFFECTIVE ION CHELATORS RELATED TO DEFEROXAMINE. | ORAL D (US) | 1986-02-19 | — | — | EP | disclosed |
| WO-1985003290-A1 | ORALLY EFFECTIVE ION CHELATORS RELATED TO DEFEROXAMINE | ORAL-D (US) | 1985-08-01 | — | — | WO | disclosed |