⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7643397 | 0.77 | HTT (0.34) | — | |
| SCHEMBL5983969 | 0.77 | HTT (0.34) | — | |
| SCHEMBL9219818 | 0.74 | CTRB1 (0.31) | — | |
| SCHEMBL7563870 | 0.74 | PPARG (0.32) | — | |
| SCHEMBL9215759 | 0.72 | CTRB1 (0.33) | — | |
| SCHEMBL5798396 | 0.72 | — | — | |
| SCHEMBL2577623 | 0.69 | — | — | |
| SCHEMBL9192197 | 0.69 | — | — | |
| SCHEMBL6883876 | 0.69 | — | — | |
| SCHEMBL6891299 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-57072996-A | — | — | None | — | — | JP | disclosed |
| JP-S5772996-A | NOVEL OLIGOMANNOSIDE AND ITS PREPARATION | RIKAGAKU KENKYUSHO | 1982-05-07 | — | — | JP | disclosed |