⚠ 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 | |
|---|---|---|---|---|
| Lithium Ion SCHEMBL16610618 | 0.94 | — | — | |
| SCHEMBL519039 | 0.94 | — | — | |
| Lithium Ion SCHEMBL253838 | 0.88 | — | — | |
| SCHEMBL3445699 | 0.88 | — | — | |
| SCHEMBL1030572 | 0.88 | — | — | |
| Zinc Ion SCHEMBL42546 | 0.88 | — | — | |
| SCHEMBL2907232 | 0.88 | — | — | |
| Water SCHEMBL18141839 | 0.88 | — | — | |
| SCHEMBL10750832 | 0.88 | — | — | |
| SCHEMBL6157118 | 0.88 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7389881-B2 | Flotation | BHP BILLITON PTY LTD (AU) | 2008-06-24 | — | — | US | disclosed |
| US-20040182755-A1 | Flotation | BHP BILLITON INNOVATION PTY LTD. (AU) | 2004-09-23 | — | — | US | disclosed |
| WO-2002078851-A1 | IMPROVED FLOTATION | BHP BILLITON INNOVATION PTY LTD (AU) | 2002-10-10 | — | — | WO | disclosed |
| US-5082492-A | Brines | UNION OIL COMPANY OF CALIFORNIA (US) | 1992-01-21 | — | — | US | disclosed |