⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL935901 | 0.71 | — | — | |
| SCHEMBL8065722 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL8038650 | 0.71 | — | — | |
| SCHEMBL11285220 | 0.71 | — | — | |
| SCHEMBL23462252 | 0.00 | — | — | |
| Water SCHEMBL25436674 | 0.00 | — | — | |
| Methane SCHEMBL23088734 | 0.00 | — | — | |
| SCHEMBL25435013 | 0.00 | — | — | |
| Ammonia Solution, Strong SCHEMBL25435623 | 0.00 | — | — | |
| Hydrogen Sulfide SCHEMBL23805181 | 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 |
|---|---|---|---|---|---|---|---|
| US-4534852-A | HYDROREFINING AND DESULFURIZATION CATALYSTS OF NICKEL AND-OR COBALT, MOLYBDENUM AND PHOSPHORUS ON AN ALUMINA SUPPORT | SHELL OIL COMPANY (US) | 1985-08-13 | — | — | US | disclosed |