⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2485612 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL6950972 | 0.97 | — | — | |
| Valine SCHEMBL6267142 | 0.80 | SLC7A5 (0.83) | — | |
| Valine SCHEMBL1933771 | 0.78 | SLC7A5 (0.79) | — | |
| SCHEMBL3873594 | 0.78 | SLC7A5 (0.55) | — | |
| Valine SCHEMBL19548431 | 0.78 | SLC7A5 (0.79) | — | |
| SCHEMBL6174937 | 0.78 | SLC7A5 (0.62) | — | |
| SCHEMBL6174935 | 0.78 | SLC7A5 (0.62) | — | |
| Valine SCHEMBL7207898 | 0.78 | SLC7A5 (0.79) | — | |
| Alanine SCHEMBL15574879 | 0.78 | SLC7A5 (0.53) | — |
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 15 patents. 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-10717704-B2 | Inhibitors of creatine transport and uses thereof | RGENIX, INC. (US) | 2020-07-21 | — | — | US | disclosed |
| US-20190315680-A1 | INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF | INSPIRNA, INC. | 2019-10-17 | — | — | 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 |
| US-10308597-B2 | Inhibitors of creatine transport and uses thereof | RGENIX, INC. (US) | 2019-06-04 | — | — | US | disclosed |
| US-20170050924-A1 | INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF | INSPIRNA, INC. | 2017-02-23 | — | — | US | disclosed |
| US-20170050924-A1 | INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF | INSPIRNA, INC. | 2017-02-23 | — | — | US | 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 |
| EP-1046634-B1 | PROCESSES FOR PRODUCING BETA-HALOGENO-ALPHA-AMINO-CARBOXYLIC ACIDS AND PHENYLCYSTEINE DERIVATIVES AND INTERMEDIATES THEREOF | KANEKA CORP (JP) | 2003-09-10 | — | — | EP | disclosed |
| EP-1046634-A1 | PROCESSES FOR PRODUCING BETA-HALOGENO-ALPHA-AMINO-CARBOXYLIC ACIDS AND PHENYLCYSTEINE DERIVATIVES AND INTERMEDIATES THEREOF | KANEKA CORPORATION (JP) | 2000-10-25 | — | — | EP | disclosed |