⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3447447 | 0.76 | — | — | |
| SCHEMBL8157846 | 0.73 | SQLE (0.39) | — | |
| SCHEMBL8157844 | 0.73 | SQLE (0.39) | — | |
| SCHEMBL9051136 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL15290497 | 0.71 | — | — | |
| SCHEMBL310890 | 0.71 | — | — | |
| SCHEMBL933002 | 0.69 | — | — | |
| SCHEMBL3971365 | 0.69 | — | — | |
| SCHEMBL466873 | 0.69 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL808507 | 0.69 | — | — |
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-105555901-A | Polishing composition | FUJIMI INC | 2016-05-04 | — | — | CN | disclosed |