⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2443953 | 0.87 | GAA (0.33) | — | |
| Water SCHEMBL4329297 | 0.85 | KDM4E (0.35) | — | |
| SCHEMBL15160002 | 0.71 | MAOA (0.33) | — | |
| SCHEMBL15432229 | 0.71 | P2RX4 (0.31) | — | |
| SCHEMBL15158571 | 0.67 | MEN1 (0.31) | — | |
| SCHEMBL7723598 | 0.66 | MYC (0.34) | — | |
| SCHEMBL6696758 | 0.64 | CAMK2D (0.32) | — | |
| SCHEMBL29090289 | 0.63 | CYP2D6 (0.30) | — | |
| SCHEMBL21082763 | 0.60 | TLR9 (0.43) | — | |
| SCHEMBL5047321 | 0.60 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2560956-B1 | NOVEL SYNTHESIS FOR THIAZOLIDINEDIONE COMPOUNDS | OCTETA THERAPEUTICS LLC (US) | 2016-10-26 | — | — | EP | disclosed |
| EP-1228067-A1 | 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGYLCEMIC AND HYPOLIPIDEMIC ACTIVITY | Takeda Chemical Industries, Ltd. (JP) | 2002-08-07 | — | — | EP | disclosed |
| WO-2001038325-A1 | 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-05-31 | — | — | WO | disclosed |