⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL269014 | 0.79 | — | — | |
| SCHEMBL5985870 | 0.76 | — | — | |
| SCHEMBL4737751 | 0.73 | — | — | |
| SCHEMBL39152 | 0.72 | — | — | |
| SCHEMBL448834 | 0.72 | — | — | |
| SCHEMBL5605741 | 0.72 | — | — | |
| SCHEMBL271364 | 0.71 | — | — | |
| SCHEMBL23897437 | 0.69 | ALDH1A1 (0.39) | — | |
| SCHEMBL10495706 | 0.69 | — | — | |
| SCHEMBL5984610 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023213715-A1 | AMPK ACTIVATOR (CBDA) AND SGLT2 INHIBITOR FOR METABOLIC HEALTH | Société des Produits Nestlé S.A. (CH) | 2023-11-09 | — | — | WO | disclosed |
| EP-3055288-A1 | ANTIDIABETIC TRICYCLIC COMPOUNDS | Merck Sharp & Dohme Corp. (US) | 2016-08-17 | — | — | EP | disclosed |
| WO-2015051725-A1 | ANTIDIABETIC TRICYCLIC COMPOUNDS | MERCK SHARP & DOHME CORP. (US) | 2015-04-16 | — | — | WO | disclosed |