⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4797221 | 0.84 | — | — | |
| SCHEMBL2910249 | 0.81 | CD81 (0.30) | — | |
| SCHEMBL10907726 | 0.81 | CD81 (0.30) | — | |
| SCHEMBL3993818 | 0.80 | — | — | |
| SCHEMBL1877810 | 0.77 | GRIK1 (0.33) | — | |
| SCHEMBL2723311 | 0.77 | GRIK1 (0.33) | — | |
| SCHEMBL1923631 | 0.76 | — | — | |
| SCHEMBL3880563 | 0.76 | GRIK1 (0.32) | — | |
| SCHEMBL2808090 | 0.76 | GRIK1 (0.32) | — | |
| SCHEMBL4040653 | 0.76 | GRIK1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120053566-A1 | METHOD FOR TREATMENT OF EMPHYSEMA | TERUMO KABUSHIKI KAISHA (JP) | 2012-03-01 | — | — | US | disclosed |
| US-20110040056-A1 | PROCESS FOR PRODUCTION OF POLYMER | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2011-02-17 | — | — | US | disclosed |
| EP-0448717-A1 | CEMENT ADMIXTURE, PRODUCTION THEREOF, AND CEMENT COMPOSITION | NIPPON SHOKUBAI CO., LTD. (JP) | 1991-10-02 | — | — | EP | disclosed |