⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18011024 | 0.65 | — | — | |
| SCHEMBL21897001 | 0.65 | — | — | |
| SCHEMBL7811227 | 0.59 | — | — | |
| Water SCHEMBL10740860 | 0.59 | ALDH1A1 (0.65) | — | |
| SCHEMBL16423308 | 0.59 | ALDH1A1 (0.36) | — | |
| SCHEMBL19743484 | 0.58 | DRD3 (0.31) | — | |
| SCHEMBL16059132 | 0.57 | — | — | |
| SCHEMBL5729822 | 0.56 | — | — | |
| SCHEMBL21985140 | 0.55 | — | — | |
| SCHEMBL6625847 | 0.55 | — | — |
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-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 |