⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1580134 | 0.94 | MEN1 (0.38) | — | |
| SCHEMBL9049342 | 0.92 | MEN1 (0.37) | — | |
| SCHEMBL14230806 | 0.78 | — | — | |
| SCHEMBL11477914 | 0.78 | ALDH1A1 (0.31) | — | |
| SCHEMBL14626426 | 0.74 | HDAC8 (0.37) | — | |
| SCHEMBL14911103 | 0.74 | — | — | |
| SCHEMBL6855172 | 0.74 | HDAC8 (0.37) | — | |
| SCHEMBL302348 | 0.74 | HDAC8 (0.37) | — | |
| SCHEMBL11566720 | 0.73 | — | — | |
| SCHEMBL3590384 | 0.72 | MEN1 (0.35) | — |
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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105980388-B | Compound (I) | 葛兰素史密斯克莱知识产权发展有限公司 | 2018-01-16 | — | — | CN | disclosed |
| CN-103717597-B | Heterocyclic compounds as kinase inhibitors | 原真股份有限公司 | 2017-07-04 | — | — | CN | disclosed |
| CN-106660996-A | Novel 2,5-substituted pyrimidines as PDE4 inhibitors | 格吕伦塔尔有限公司 | 2017-05-10 | — | — | CN | disclosed |
| CN-106488916-A | The new 2,5 substituted miazines as PDE inhibitor | 格吕伦塔尔有限公司 | 2017-03-08 | — | — | CN | disclosed |
| US-6942966-B1 | libraries formed by permutations; combinatorial chemistry; drug screening | ISIS PHARMACEUTICALS, INC. (US) | 2005-09-13 | — | — | US | disclosed |
| US-6828427-B1 | Oligomeric aminodiol-containing compounds, libraries thereof, and process of preparing the same | ISIS PHARMACEUTICALS, INC. | 2004-12-07 | — | — | US | disclosed |
| US-6750344-B1 | MONOCYCLIC AMINE SCAFFOLD BEARING AT LEAST TWO SITES OF DIVERSITY, CYCLIZED TO FORM BICYCLIC AMINE SCAFFOLDS; 7-AMINO-PYRROLO(1,2-A)PYRAZIN-4-ONE COMPOUNDS | ISIS PHARMACEUTICALS, INC. | 2004-06-15 | — | — | US | disclosed |
| US-6559303-B1 | Bridgehead atoms are bonded to one or more bridges that interconnect one or more ring systems thereby forming a large cyclic structure. Located in each bridge are two or more nitrogenous moieties that are derivatized with chemical | ISIS PHARMACEUTICALS, INC. | 2003-05-06 | — | — | US | disclosed |
| US-6506763-B2 | Useful in prevention and treatment of protein kinase related disorders such as cancer | SUGEN, INC. | 2003-01-14 | — | — | US | disclosed |
| US-6329523-B1 | FOR ANTIBACTERIAL PHARMACEUTICAL USE, USEFUL FOR IDENTIFYING METAL CHELATING SPECIES FOR ?HEAVY METAL? THERAPY; IMAGING AGENTS | ISIS PHARMACEUTICALS, INC. | 2001-12-11 | — | — | US | disclosed |
| EP-0865439-A4 | COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS | ISIS PHARMACEUTICALS INC (US) | 1998-11-11 | — | — | EP | disclosed |
| EP-0865439-A1 | COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS | ISIS PHARMACEUTICALS, INC. (US) | 1998-09-23 | — | — | EP | disclosed |
| EP-0817787-A1 | NITROGENOUS MACROCYCLIC COMPOUNDS | ISIS PHARMACEUTICALS, INC. (US) | 1998-01-14 | — | — | EP | disclosed |
| EP-0763015-A1 | SYSTEMATIC MODULAR PRODUCTION OF AMINIMIDE- AND OXAZOLONE- BASED MOLECULES HAVING AT LEAST TWO STRUCTURAL DIVERSITY ELEMENTS | ARQULE, INC. (US) | 1997-03-19 | — | — | EP | disclosed |
| WO-1996040672-A1 | COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS | ISIS PHARMACEUTICALS, INC. (US) | 1996-12-19 | — | — | WO | disclosed |
| WO-1996030377-A1 | NITROGENOUS MACROCYCLIC COMPOUNDS | ISIS PHARMACEUTICALS, INC. (US) | 1996-10-03 | — | — | WO | disclosed |
| WO-1995032184-A1 | SYSTEMATIC MODULAR PRODUCTION OF AMINIMIDE- AND OXAZOLONE- BASED MOLECULES HAVING AT LEAST TWO STRUCTURAL DIVERSITY ELEMENTS | ARQULE, INC. (US) | 1995-11-30 | — | — | WO | disclosed |
| US-4149941-A | ELECTROLYTIC ALKOXYLATION | HOECHST AKTIENGESELLSCHAFT (DE) | 1979-04-17 | — | — | US | disclosed |
| US-4123434-A | Process for preparing trimeric Δ1 -piperideins and trimeric 1-pyrroline | HOECHST AKTIENGESELLSCHAFT (DE) | 1978-10-31 | — | — | US | disclosed |
| US-4118500-A | Fungicidal alkoxy mono- and dialkoxy N-substituted cyclic amines | HOECHST AKTIENGESELLSCHAFT (DE) | 1978-10-03 | — | — | US | disclosed |