⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL213811 | 0.82 | — | — | |
| SCHEMBL1314015 | 0.82 | — | — | |
| SCHEMBL5161663 | 0.82 | — | — | |
| SCHEMBL180230 | 0.82 | — | — | |
| SCHEMBL3010114 | 0.82 | — | — | |
| SCHEMBL8443705 | 0.82 | — | — | |
| Hydrogen Sulfide SCHEMBL992399 | 0.67 | — | — | |
| SCHEMBL301138 | 0.67 | — | — | |
| Water SCHEMBL3039396 | 0.67 | — | — | |
| Water SCHEMBL10943666 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0819183-A1 | TREATMENT OF FLY ASH | KVAERNER ENGINEERING A/S (NO) | 1998-01-21 | — | — | EP | disclosed |
| WO-1996031631-A1 | TREATMENT OF FLY ASH | KVAERNER ENGINEERING A.S (NO) | 1996-10-10 | — | — | WO | disclosed |