⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9641173 | 0.73 | — | — | |
| SCHEMBL3673198 | 0.68 | NPC1 (0.33) | — | |
| SCHEMBL14155191 | 0.67 | — | — | |
| SCHEMBL17573814 | 0.66 | CA1 (0.30) | — | |
| SCHEMBL12712176 | 0.63 | CA1 (0.31) | — | |
| SCHEMBL4284031 | 0.60 | NPC1 (0.39) | — | |
| SCHEMBL14685527 | 0.56 | — | — | |
| SCHEMBL31280995 | 0.56 | — | — | |
| SCHEMBL31281363 | 0.55 | — | — | |
| SCHEMBL31282076 | 0.53 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-108047369-A | A kind of holography optical storage polymer and its manufacturing method | 电子科技大学 | 2018-05-18 | — | — | CN | claimed |
| CN-110054732-A | Surface coating polymerization object, preparation method and application | 中山大学 | 2019-07-26 | — | — | CN | disclosed |