⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL21519650 | 0.97 | — | — | |
| Bromide SCHEMBL7631202 | 0.97 | — | — | |
| SCHEMBL8226879 | 0.94 | — | — | |
| Iodide SCHEMBL2889159 | 0.91 | FKBP5 (0.32) | — | |
| SCHEMBL3620019 | 0.87 | — | — | |
| Hydrazine SCHEMBL5740194 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL21519507 | 0.84 | — | — | |
| SCHEMBL10070518 | 0.69 | — | — | |
| SCHEMBL8932532 | 0.66 | — | — | |
| SCHEMBL7142404 | 0.66 | — | — |
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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3950673-A1 | INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF | Inspirna, Inc. (US) | 2022-02-09 | — | — | EP | disclosed |
| EP-3137447-B1 | INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF | RGENIX INC (US) | 2021-06-30 | — | — | EP | disclosed |
| US-10717704-B2 | Inhibitors of creatine transport and uses thereof | RGENIX, INC. (US) | 2020-07-21 | — | — | US | disclosed |
| US-20190330157-A1 | THERAPEUTIC COMPOUNDS | REGENTS OF THE UNIVERSITY OF MINNESOTA | 2019-10-31 | — | — | US | disclosed |
| US-20190315680-A1 | INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF | INSPIRNA, INC. | 2019-10-17 | — | — | US | disclosed |
| US-10308597-B2 | Inhibitors of creatine transport and uses thereof | RGENIX, INC. (US) | 2019-06-04 | — | — | US | disclosed |
| EP-3137447-A1 | INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF | Rgenix, Inc. (US) | 2017-03-08 | — | — | EP | disclosed |
| US-20170050924-A1 | INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF | INSPIRNA, INC. | 2017-02-23 | — | — | US | disclosed |
| WO-2016176636-A1 | INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF | RGENIX, INC. (US) | 2016-11-03 | — | — | WO | disclosed |
| WO-2015168465-A1 | INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF | RGENIX, INC. (US) | 2015-11-05 | — | — | WO | disclosed |
| US-7456200-B2 | Compounds | ASTRAZENECA AB (SE) | 2008-11-25 | — | — | US | disclosed |
| US-20080045571-A1 | ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | ASTRAZENECA AB (SE) | 2008-02-21 | — | — | US | disclosed |
| US-20080015204-A1 | ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | ASTRAZENECA AB (SE) | 2008-01-17 | — | — | US | disclosed |
| US-20080015234-A1 | ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | ASTRAZENECA AB (SE) | 2008-01-17 | — | — | US | disclosed |
| US-20070293545-A1 | ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | ASTRAZENECA AB (SE) | 2007-12-20 | — | — | US | disclosed |
| US-20070259895-A1 | MGluR5 modulators VI | ASTRAZENECA AB (SE) | 2007-11-08 | — | — | US | disclosed |
| US-20070259895-A1 | MGluR5 modulators VI | ASTRAZENECA AB (SE) | 2007-11-08 | — | — | US | disclosed |
| US-20070179188-A1 | Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists | ASTRAZENECA AB (SE) | 2007-08-02 | — | — | US | disclosed |
| US-20060122397-A1 | Exhibiting an activity at metabotropic glutamate receptors (mGluRs), especially at the mGluR5 receptor; neurological disorders, psychiatric disorders, acute and chronic pain | ASTRAZENECA AB (SE) | 2006-06-08 | — | — | US | disclosed |
| EP-1157028-B1 | NOVEL SUBSTITUTED 11.BETA STEROID DERIVATIVES, METHOD FOR PREPARING SAME AND INTERMEDIATES OF SAID METHOD, USE AS MEDICINE AND COMPOSITIONS CONTAINING THEM | AVENTIS PHARMA SA (FR) | 2002-09-04 | — | — | EP | disclosed |