⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3665540 | 0.94 | — | — | |
| SCHEMBL819558 | 0.78 | LMNA (0.38) | — | |
| SCHEMBL819349 | 0.76 | ALOX15 (0.41) | — | |
| SCHEMBL12874856 | 0.76 | ALOX15 (0.41) | — | |
| SCHEMBL12361763 | 0.76 | ALOX15 (0.41) | — | |
| SCHEMBL12827845 | 0.76 | ALOX15 (0.41) | — | |
| SCHEMBL819464 | 0.72 | — | — | |
| SCHEMBL689737 | 0.67 | — | — | |
| SCHEMBL23291839 | 0.67 | — | — | |
| SCHEMBL7213132 | 0.67 | — | — |
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-2162429-A2 | HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF | Sumitomo Chemical Company, Limited (JP) | 2010-03-17 | — | — | EP | disclosed |
| WO-2009005110-A2 | HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2009-01-08 | — | — | WO | disclosed |
| US-20030119800-A1 | Bone anabolic compounds and methods of use | BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS | 2003-06-26 | — | — | US | disclosed |