⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11077524 | 0.83 | TSHR (0.31) | — | |
| Water SCHEMBL26127007 | 0.80 | — | — | |
| SCHEMBL8009702 | 0.77 | — | — | |
| SCHEMBL5608116 | 0.77 | — | — | |
| SCHEMBL532188 | 0.77 | — | — | |
| SCHEMBL10416450 | 0.77 | — | — | |
| SCHEMBL73307 | 0.77 | — | — | |
| SCHEMBL25666089 | 0.76 | — | — | |
| SCHEMBL7922642 | 0.73 | — | — | |
| SCHEMBL7922644 | 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-5540337-A | Alkyloxyalkaneamines useful as cationic froth flotation collectors | BAKER HUGHES INCORPORATED (US) | 1996-07-30 | — | — | US | disclosed |