⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20096384 | 0.78 | — | — | |
| SCHEMBL24906756 | 0.78 | GRM4 (0.31) | — | |
| SCHEMBL179208 | 0.75 | MAPK1 (0.33) | — | |
| SCHEMBL8464279 | 0.73 | — | — | |
| SCHEMBL19728786 | 0.71 | — | — | |
| SCHEMBL14305567 | 0.71 | — | — | |
| SCHEMBL20152036 | 0.71 | — | — | |
| SCHEMBL18807388 | 0.71 | — | — | |
| SCHEMBL10070526 | 0.71 | — | — | |
| SCHEMBL15833596 | 0.71 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140061905-A1 | Polyol Photosensitizers, Carrier Gas UV Laser Ablation Sensitizers, and Other Additives and Methods For Making and Using Same | NDSU RESEARCH FOUNDATION (US) | 2014-03-06 | — | — | US | disclosed |