⚠ 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 | |
|---|---|---|---|---|
| Hydrogen Sulfide SCHEMBL8201731 | 0.91 | — | — | |
| Ammonia Solution, Strong SCHEMBL22747859 | 0.91 | — | — | |
| Hydrogen Sulfide SCHEMBL7099124 | 0.91 | ALDH1A1 (0.80) | — | |
| Methane SCHEMBL23581171 | 0.83 | — | — | |
| SCHEMBL8871827 | 0.82 | — | — | |
| SCHEMBL6231 | 0.82 | — | — | |
| SCHEMBL10882483 | 0.73 | — | — | |
| Charcoal, Activated SCHEMBL10390519 | 0.73 | — | — | |
| SCHEMBL7960200 | 0.73 | — | — | |
| SCHEMBL5028657 | 0.73 | — | — |
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-5689026-A | CATALYST CONTAINING ZEOLITE BETA, NICKEL, MOLYBDENUM, AND SULFUR | PHILLIPS PETROLEUM COMPANY (US) | 1997-11-18 | — | — | US | claimed |