⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14438932 | 0.70 | — | — | |
| SCHEMBL8428628 | 0.59 | — | — | |
| SCHEMBL388893 | 0.59 | — | — | |
| SCHEMBL58775 | 0.59 | — | — | |
| Phosphine SCHEMBL24869468 | 0.56 | — | — | |
| SCHEMBL11553725 | 0.56 | — | — | |
| SCHEMBL11053283 | 0.56 | — | — | |
| SCHEMBL9052134 | 0.56 | — | — | |
| SCHEMBL11550340 | 0.56 | — | — | |
| SCHEMBL8647981 | 0.56 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013121593-A1 | INORGANIC / POLYMERIC HYBRID CATALYTIC MATERIALS WITH HIGH ACTIVITY IN VARIOUS SOLVENTS | NIPPON KODOSHI CORPORATION (JP) | 2013-08-22 | — | — | WO | disclosed |