⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15218974 | 0.72 | ALDH1A1 (0.36) | — | |
| SCHEMBL12650402 | 0.70 | — | — | |
| SCHEMBL6720166 | 0.69 | — | — | |
| SCHEMBL12922595 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL6227721 | 0.66 | — | — | |
| SCHEMBL24638090 | 0.64 | — | — | |
| SCHEMBL1360717 | 0.64 | — | — | |
| SCHEMBL13879093 | 0.61 | ALDH1A1 (0.45) | — | |
| SCHEMBL20512336 | 0.59 | ALDH1A1 (0.52) | — | |
| SCHEMBL21263304 | 0.59 | ALDH1A1 (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9944534-B2 | Reducing aluminosilicate scale in the Bayer process | ECOLAB USA INC. (US) | 2018-04-17 | — | — | US | disclosed |
| US-20170050861-A1 | Reducing Aluminosilicate Scale in the Bayer Process | NALCO COMPANY (US) | 2017-02-23 | — | — | US | disclosed |