⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL710653 | 1.00 | — | — | |
| SCHEMBL14924771 | 1.00 | — | — | |
| SCHEMBL10440514 | 0.74 | — | — | |
| SCHEMBL13179793 | 0.74 | — | — | |
| SCHEMBL10440516 | 0.74 | — | — | |
| SCHEMBL1914791 | 0.72 | TSHR (0.30) | — | |
| SCHEMBL1760729 | 0.72 | — | — | |
| SCHEMBL1914792 | 0.72 | TSHR (0.30) | — | |
| SCHEMBL13040569 | 0.72 | — | — | |
| SCHEMBL8021352 | 0.72 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2748147-B1 | SUBSTITUTED 2-ALKYL-1-OXO-N-PHENYL-3-HETEROARYL-1,2,3,4-TETRAHYDROISOQUINOLINE-4-CARBOXAMIDES FOR ANTIMALARIAL THERAPIES | ST JUDE CHILDREN'S RES HOSPITAL (US) | 2017-08-02 | — | — | EP | disclosed |
| WO-2015031564-A2 | SUBSTITUTED-1H-BENZO[D]IMIDAZOLE SERIES COMPOUNDS AS LYSINE-SPECFIC DEMETHYLASE 1 (LSD1) INHIBITORS | UNIVERSITY OF UTAH (US) | 2015-03-05 | — | — | WO | disclosed |
| US-20130030026-A1 | ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS | ACUCELA INC. (US) | 2013-01-31 | — | — | US | disclosed |
| US-20120214852-A1 | Alkoxy Compounds for Disease Treatment | ACUCELA INC. (US) | 2012-08-23 | — | — | US | disclosed |
| US-20120178776-A1 | DIHYDRONAPHTHYRIDINYL(ORGANO)METHANONE ANALOGS AS POSITIVE ALLOSTERIC MGLUR5 MODULATORS | NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR | 2012-07-12 | — | — | US | disclosed |
| US-20120129860-A1 | STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS | ACUCELA, INC. (US) | 2012-05-24 | — | — | US | disclosed |
| US-20110152299-A1 | SUBSTITUTED BENZAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2011-06-23 | — | — | US | disclosed |
| US-20100305167-A1 | Administration of an Inhibitor of HDAC | SYNDAX PHARMACEUTICALS, INC. (US) | 2010-12-02 | — | — | US | disclosed |
| US-20100113539-A1 | COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS | ACUCELA, INC. (US) | 2010-05-06 | — | — | US | disclosed |