⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11250864 | 1.00 | — | — | |
| SCHEMBL5096761 | 0.77 | — | — | |
| SCHEMBL5096759 | 0.77 | — | — | |
| SCHEMBL6594206 | 0.69 | — | — | |
| SCHEMBL6594209 | 0.69 | — | — | |
| SCHEMBL8447052 | 0.67 | — | — | |
| SCHEMBL13662061 | 0.67 | — | — | |
| SCHEMBL13539213 | 0.67 | — | — | |
| SCHEMBL16369051 | 0.67 | — | — | |
| SCHEMBL12744907 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4332969-A | Substituted 11-aminoundecanols | CIBA-GEIGY CORPORATION (US) | 1982-06-01 | — | — | US | disclosed |
| US-4289905-A | 2-Aza-1,3-dienes | CIBA-GEIGY CORPORATION (US) | 1981-09-15 | — | — | US | disclosed |
| US-4213901-A | PESTICIDES | CIBA-GEIGY CORPORATION (US) | 1980-07-22 | — | — | US | disclosed |