⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL43420 | 0.87 | — | — | |
| SCHEMBL3786334 | 0.75 | — | — | |
| Water SCHEMBL11305566 | 0.75 | — | — | |
| SCHEMBL11090358 | 0.75 | — | — | |
| SCHEMBL11751227 | 0.75 | — | — | |
| Water SCHEMBL9638716 | 0.75 | — | — | |
| Lithium Ion SCHEMBL5962497 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL7213347 | 0.75 | — | — | |
| Hydrogen Peroxide SCHEMBL11595004 | 0.67 | — | — | |
| SCHEMBL1735996 | 0.58 | — | — |
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-4451088-A | Gaining access to very deep coal seams by carrying explosive in density controlled fluid | BASF AKTIENGESELLSCHAFT (DE) | 1984-05-29 | — | — | US | disclosed |