⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1692254 | 0.84 | — | — | |
| SCHEMBL2925739 | 0.77 | — | — | |
| SCHEMBL15986792 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL2420259 | 0.72 | ALDH1A1 (0.30) | — | |
| SCHEMBL28700633 | 0.71 | — | — | |
| SCHEMBL8765039 | 0.71 | — | — | |
| SCHEMBL9390387 | 0.71 | — | — | |
| SCHEMBL18763582 | 0.69 | — | — | |
| SCHEMBL169295 | 0.68 | — | — | |
| SCHEMBL44552 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103551132-B | Porous inorganic/organic hybrid particles having high organic content and enhanced pore geometry for chromatographic separations | 沃特世科技公司 | 2017-04-12 | — | — | CN | disclosed |