⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3812781 | 0.79 | — | — | |
| SCHEMBL1646154 | 0.71 | — | — | |
| SCHEMBL28186457 | 0.71 | — | — | |
| SCHEMBL27735778 | 0.71 | — | — | |
| SCHEMBL22194051 | 0.71 | — | — | |
| SCHEMBL27524568 | 0.71 | — | — | |
| SCHEMBL28311326 | 0.71 | — | — | |
| SCHEMBL28327139 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL28078481 | 0.63 | — | — | |
| SCHEMBL27927843 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1992007043-A1 | MAGNETIC SEPARATION OF OLD FROM NEW CRACKING CATALYST BY HEAVY RARE EARTH ADDITION | ASHLAND OIL, INC. (US) | 1992-04-30 | — | — | WO | disclosed |