⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2484249 | 0.96 | CA1 (0.33) | — | |
| SCHEMBL8105620 | 0.96 | — | — | |
| SCHEMBL560898 | 0.96 | — | — | |
| SCHEMBL28658422 | 0.92 | — | — | |
| SCHEMBL8408156 | 0.92 | — | — | |
| Water SCHEMBL2481139 | 0.92 | — | — | |
| SCHEMBL139503 | 0.91 | — | — | |
| SCHEMBL289836 | 0.91 | — | — | |
| SCHEMBL123337 | 0.91 | — | — | |
| SCHEMBL673446 | 0.87 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0522744-B1 | Synthesis gas production | ICI PLC (GB) | 1997-08-13 | — | — | EP | disclosed |
| US-5252609-A | Catalytic steam reforming first stream of desulfurized hydrocarbon feedstock, cooling; adiabatically low temperature steam reforming second stream, partially oxidizing and cooling and mixing two streams | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-10-12 | — | — | US | disclosed |
| EP-0522744-A2 | Synthesis gas production | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-01-13 | — | — | EP | disclosed |