⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4060227 | 0.86 | — | — | |
| SCHEMBL26674 | 0.66 | ALDH1A1 (0.40) | — | |
| SCHEMBL28748541 | 0.66 | ALDH1A1 (0.40) | — | |
| Benzene SCHEMBL28207368 | 0.66 | ALDH1A1 (0.40) | — | |
| Water SCHEMBL18039121 | 0.63 | ALDH1A1 (0.38) | — | |
| SCHEMBL9068833 | 0.63 | ALDH1A1 (0.38) | — | |
| Fluoride SCHEMBL3304552 | 0.63 | ALDH1A1 (0.38) | — | |
| SCHEMBL9302217 | 0.63 | ALDH1A1 (0.38) | — | |
| Phosphine SCHEMBL20701190 | 0.63 | ALDH1A1 (0.38) | — | |
| Fluoride SCHEMBL18936426 | 0.63 | ALDH1A1 (0.38) | — |
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-2009035881-A2 | PHOSPHORUS-SULFUR FR ADDITIVES AND POLYMER SYSTEMS CONTAINING SAME | DOW GLOBAL TECHNOLOGIES, INC. (US) | 2009-03-19 | — | — | WO | disclosed |