⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28110616 | 0.98 | TSHR (0.31) | — | |
| SCHEMBL31281825 | 0.94 | — | — | |
| SCHEMBL2861731 | 0.94 | — | — | |
| SCHEMBL1765713 | 0.85 | — | — | |
| SCHEMBL31281037 | 0.85 | — | — | |
| SCHEMBL28295048 | 0.80 | — | — | |
| SCHEMBL11162704 | 0.80 | — | — | |
| SCHEMBL31281425 | 0.76 | — | — | |
| SCHEMBL2831467 | 0.76 | — | — | |
| SCHEMBL32665762 | 0.76 | TSHR (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7871501-B2 | Laser-based method for removal of sulfur (DMDBT) in hydrocarbon fuels | KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) | 2011-01-18 | — | — | US | disclosed |
| US-20080110802-A1 | Laser-based method for removal of sulfur (DMDBT) in hydrocarbon fuels | KING FAHD UNIV. OF PETROLEUM AND MINERALS (SA) | 2008-05-15 | — | — | US | disclosed |