⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6246310 | 0.85 | — | — | |
| SCHEMBL472156 | 0.82 | — | — | |
| SCHEMBL249629 | 0.79 | OPRM1 (0.32) | — | |
| SCHEMBL28378591 | 0.78 | — | — | |
| Methylamine SCHEMBL28486504 | 0.77 | OPRM1 (0.31) | — | |
| Cyclopropane SCHEMBL10433701 | 0.73 | — | — | |
| SCHEMBL7643744 | 0.70 | — | — | |
| SCHEMBL6246303 | 0.68 | — | — | |
| SCHEMBL2830814 | 0.67 | TSHR (0.38) | — | |
| SCHEMBL8470281 | 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 |
|---|---|---|---|---|---|---|---|
| US-6090885-A | Aminofunctional silicone emulsion | GENERAL ELECTRIC COMPANY (US) | 2000-07-18 | — | — | US | disclosed |