⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28564860 | 0.89 | — | — | |
| SCHEMBL404241 | 0.89 | — | — | |
| SCHEMBL37088 | 0.89 | — | — | |
| SCHEMBL9708114 | 0.80 | — | — | |
| SCHEMBL11036706 | 0.80 | — | — | |
| SCHEMBL7037567 | 0.80 | — | — | |
| SCHEMBL9561996 | 0.80 | — | — | |
| Water SCHEMBL10608355 | 0.80 | — | — | |
| SCHEMBL20676764 | 0.80 | — | — | |
| SCHEMBL2793044 | 0.80 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105664948-B | A kind of preparation method and application of Ni-based xerogel catalyst | 江苏大学 | 2018-08-10 | — | — | CN | disclosed |
| CN-105664948-A | Preparation method and application of nickel-based dried gel catalyst | 江苏大学 | 2016-06-15 | — | — | CN | disclosed |
| US-20040156986-A1 | Color pigments nanotechnology | NANOPRODUCTS CORPORATION | 2004-08-12 | — | — | US | disclosed |