⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7216828 | 0.77 | — | — | |
| SCHEMBL3439424 | 0.77 | — | — | |
| SCHEMBL18327727 | 0.77 | — | — | |
| SCHEMBL29999963 | 0.77 | — | — | |
| SCHEMBL24179779 | 0.76 | ALDH1A1 (0.41) | — | |
| SCHEMBL93457 | 0.74 | ALDH1A1 (0.39) | — | |
| SCHEMBL29554163 | 0.74 | ALDH1A1 (0.39) | — | |
| SCHEMBL12087690 | 0.74 | — | — | |
| SCHEMBL20070416 | 0.74 | KDM4E (0.36) | — | |
| SCHEMBL11055199 | 0.73 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050276781-A1 | Molecularly imprinted phosphate binders for therapeutic use | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. | 2005-12-15 | — | — | US | claimed |
| EP-2958562-B1 | ANTIDIABETIC BICYCLIC COMPOUNDS | MERCK SHARP & DOHME LLC (US) | 2025-09-10 | — | — | EP | disclosed |
| US-20190000860-A1 | USE OF COMPOSITIONS MODULATING CHROMATIN STRUCTURE FOR GRAFT VERSUS HOST DISEASE (GVHD) | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2019-01-03 | — | — | US | disclosed |
| US-9840512-B2 | Antidiabetic bicyclic compounds | MERCK SHARP & DOHME CORP. (US) | 2017-12-12 | — | — | US | disclosed |
| US-20160002255-A1 | ANTIDIABETIC BICYCLIC COMPOUNDS | MERCK SHARP & DOHME LLC | 2016-01-07 | — | — | US | disclosed |
| EP-2958562-A1 | ANTIDIABETIC BICYCLIC COMPOUNDS | Merck Sharp & Dohme Corp. (US) | 2015-12-30 | — | — | EP | disclosed |
| WO-2014130608-A1 | ANTIDIABETIC BICYCLIC COMPOUNDS | MERCK SHARP & DOHME CORP. (US) | 2014-08-28 | — | — | WO | disclosed |
| WO-2006091530-A2 | COMBINATORIAL HYDROGEL FORMULATION | TRANSFORM PHARMACEUTICALS, INC. (US) | 2006-08-31 | — | — | WO | disclosed |
| US-20060188940-A1 | Combinatorial hydrogel formulation | TRANSFORM PHARMACEUTICALS, INC. | 2006-08-24 | — | — | US | disclosed |
| US-20050276781-A1 | Molecularly imprinted phosphate binders for therapeutic use | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. | 2005-12-15 | — | — | US | disclosed |