⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5266521 | 0.80 | NR1H2 (0.32) | — | |
| SCHEMBL5767369 | 0.68 | MMP12 (0.36) | — | |
| SCHEMBL5744684 | 0.67 | ALOX5 (0.32) | — | |
| SCHEMBL5781491 | 0.64 | ACE (0.37) | — | |
| SCHEMBL5200688 | 0.64 | PPARA (0.42) | — | |
| SCHEMBL5740879 | 0.63 | PTPN2 (0.36) | — | |
| SCHEMBL5262506 | 0.63 | EPHX2 (0.33) | — | |
| SCHEMBL5743320 | 0.63 | KEAP1 (0.35) | — | |
| SCHEMBL5764439 | 0.61 | MAPT (0.33) | — | |
| SCHEMBL27848384 | 0.60 | GPR119 (0.42) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1844043-A2 | HETEROCYCLE SUBSTITUTED CARBOXYLIC ACIDS FOR THE TREATMENT OF DIABETES | The Institutes for Pharmaceutical Discovery, LLC (US) | 2007-10-17 | — | — | EP | claimed |
| WO-2006055708-A2 | HETEROCYCLE SUBSTITUTED CARBOXYLIC ACIDS FOR THE TREATMENT OF DIABETES | THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) | 2006-05-26 | — | — | WO | claimed |