⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1179454 | 0.91 | TP53 (0.33) | — | |
| SCHEMBL24839017 | 0.71 | — | — | |
| SCHEMBL8322528 | 0.70 | DPP4 (0.32) | — | |
| SCHEMBL4805526 | 0.70 | TP53 (0.33) | — | |
| SCHEMBL6722261 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL6843362 | 0.69 | TP53 (0.32) | — | |
| Isopropylamine SCHEMBL1489167 | 0.68 | — | — | |
| SCHEMBL28613246 | 0.67 | — | — | |
| Formic Acid SCHEMBL28061393 | 0.67 | TP53 (0.31) | — | |
| SCHEMBL28061390 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105431571-A | Organic disulfide based corrosion inhibitors | ECOLAB USA INC | 2016-03-23 | — | — | CN | claimed |
| CN-105431571-A | Organic disulfide based corrosion inhibitors | ECOLAB USA INC | 2016-03-23 | — | — | CN | disclosed |