⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13331949 | 0.84 | KCNH2 (0.35) | — | |
| SCHEMBL24690873 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL17493931 | 0.82 | KCNH2 (0.35) | — | |
| SCHEMBL12242610 | 0.81 | TSHR (0.38) | — | |
| SCHEMBL18826082 | 0.78 | KCNH2 (0.33) | — | |
| SCHEMBL12242637 | 0.78 | HRH3 (0.34) | — | |
| SCHEMBL1132719 | 0.75 | — | — | |
| SCHEMBL13469386 | 0.75 | — | — | |
| SCHEMBL31652373 | 0.75 | — | — | |
| SCHEMBL19993589 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105916856-B | Substituted 4,5,6,7- tetrahydro-pyrazoles as Casein kinase 1 D/E inhibitor simultaneously [1,5-A] pyrazines derivatives | 百时美施贵宝公司 | 2018-09-25 | — | — | CN | disclosed |
| WO-2018118838-A1 | CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE | BIOMARIN PHARMACEUTICAL INC. (US) | 2018-06-28 | — | — | WO | disclosed |
| US-9963458-B2 | Indole and indoline-type piperidine compounds and uses thereof | PURDUE PHARMA L.P. (US) | 2018-05-08 | — | — | US | disclosed |
| US-9765078-B2 | Compounds and methods for inhibiting mitotic progression | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2017-09-19 | — | — | US | disclosed |
| US-9598447-B2 | Phosphorus-substituted quinoxaline-type piperidine compounds and uses thereof | PURDUE PHARMA L.P. (US) | 2017-03-21 | — | — | US | disclosed |
| EP-2719698-B1 | Methods for preparing aurora kinase inhibitors | MILLENNIUM PHARM INC (US) | 2016-10-05 | — | — | EP | disclosed |
| EP-2746285-B1 | Process for the preparation of aurora kinase inhibitors | MILLENNIUM PHARM INC (US) | 2016-09-14 | — | — | EP | disclosed |
| WO-2014113485-A1 | LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS | INTERMUNE, INC. (US) | 2014-07-24 | — | — | WO | disclosed |
| US-8399479-B2 | Modulators of cystic fibrosis transmembrane conductance regulator | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-03-19 | — | — | US | disclosed |
| US-20130011923-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-01-10 | — | — | US | disclosed |
| US-8183238-B2 | Bicyclic and tricyclic compounds as KAT II inhibitors | PFIZER INC. (US) | 2012-05-22 | — | — | US | disclosed |
| US-20120040951-A1 | HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS | SUNESIS PHARMACEUTICALS, INC. | 2012-02-16 | — | — | US | disclosed |
| US-20110319425-A1 | HETEROTRICYCLIC COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | ADDEX PHARMA SA (CH) | 2011-12-29 | — | — | US | disclosed |
| US-20110021541-A1 | INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA | ICOS CORPORATION | 2011-01-27 | — | — | US | disclosed |
| US-20100324043-A1 | Bicyclic And Tricyclic Compounds As KAT II Inhibitors | PFIZER INC | 2010-12-23 | — | — | US | disclosed |
| US-20100261750-A1 | Modulators of Cystic Fibrosis Transmembrane Conductance Regulator | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-10-14 | — | — | US | disclosed |
| US-20100168158-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-07-01 | — | — | US | disclosed |
| US-20100144756-A1 | NOVEL HETEROAROMATIC DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | ADDEX PHARMA SA (CH) | 2010-06-10 | — | — | US | disclosed |
| US-7446199-B2 | Compositions useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-11-04 | — | — | US | disclosed |
| US-20070264196-A1 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED | 2007-11-15 | — | — | US | disclosed |