⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7648158 | 1.00 | — | — | |
| SCHEMBL1525947 | 0.71 | — | — | |
| SCHEMBL154501 | 0.71 | — | — | |
| SCHEMBL25437025 | 0.00 | — | — | |
| Helium SCHEMBL22987287 | 0.00 | — | — | |
| Potassium Ion SCHEMBL23462130 | 0.00 | CA4 (0.50) | — | |
| SCHEMBL23462191 | 0.00 | — | — | |
| Methane SCHEMBL25439042 | 0.00 | — | — | |
| SCHEMBL25393921 | 0.00 | — | — | |
| SCHEMBL23462187 | 0.00 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0444949-A2 | Three micron laser | AMOCO CORPORATION (US) | 1991-09-04 | — | — | EP | disclosed |