⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7089606 | 0.69 | — | — | |
| SCHEMBL560768 | 0.65 | — | — | |
| SCHEMBL6339290 | 0.65 | ALDH1A1 (0.30) | — | |
| SCHEMBL13453130 | 0.63 | — | — | |
| SCHEMBL18829517 | 0.63 | — | — | |
| SCHEMBL2329891 | 0.61 | — | — | |
| SCHEMBL703166 | 0.61 | — | — | |
| SCHEMBL30782439 | 0.60 | — | — | |
| SCHEMBL473898 | 0.60 | — | — | |
| SCHEMBL5841 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-57181090-A | — | — | None | — | — | JP | disclosed |
| JP-S57181090-A | SILANOL DERIVATIVE CONTAINING FLUORINE | SAGAMI CHEM RES CENTER | 1982-11-08 | — | — | JP | disclosed |