⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2261217 | 0.81 | DRD2 (0.42) | — | |
| Hydrochloric Acid SCHEMBL31233820 | 0.67 | BRPF1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL31233821 | 0.67 | BRPF1 (0.33) | — | |
| SCHEMBL13415331 | 0.64 | DRD2 (0.46) | — | |
| SCHEMBL1444493 | 0.62 | — | — | |
| SCHEMBL22470752 | 0.62 | — | — | |
| SCHEMBL30494438 | 0.61 | PNMT (0.39) | — | |
| Hydrochloric Acid SCHEMBL288706 | 0.61 | PLK1 (0.35) | — | |
| SCHEMBL14489653 | 0.61 | DRD1 (0.61) | — | |
| SCHEMBL12363783 | 0.61 | DRD5 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11364240-B2 | Pyruvate kinase activators for use in treating blood disorders | AGIOS PHARMACEUTICALS, INC. (US) | 2022-06-21 | — | — | US | disclosed |
| US-20210130371-A1 | PYRUVATE KINASE ACTIVATORS FOR USE IN TREATING BLOOD DISORDERS | AGIOS PHARMACEUTICALS, INC. | 2021-05-06 | — | — | US | disclosed |
| EP-2001883-A2 | AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | Merck & Co., Inc. (US) | 2008-12-17 | — | — | EP | disclosed |
| WO-2007126745-A2 | AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK & CO., INC. (US) | 2007-11-08 | — | — | WO | disclosed |