⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17240887 | 1.00 | — | — | |
| SCHEMBL3800556 | 1.00 | — | — | |
| SCHEMBL87311 | 0.93 | ALDH1A1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL572630 | 0.91 | — | — | |
| Iodide SCHEMBL2341576 | 0.91 | ALDH1A1 (0.33) | — | |
| SCHEMBL19857303 | 0.91 | — | — | |
| Water SCHEMBL15361762 | 0.91 | — | — | |
| Bromide SCHEMBL1045353 | 0.91 | ALDH1A1 (0.33) | — | |
| SCHEMBL4246787 | 0.86 | — | — | |
| SCHEMBL7551318 | 0.86 | ALDH1A1 (0.30) | — |
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-2084105-A1 | METHOD OF FUNCTIONALIZING A CARBON MATERIAL | Agency for Science, Technology And Research (SG) | 2009-08-05 | — | — | EP | disclosed |
| WO-2008048192-A1 | METHOD OF FUNCTIONALIZING A CARBON MATERIAL | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2008-04-24 | — | — | WO | disclosed |