⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13836502 | 0.79 | — | — | |
| SCHEMBL9165488 | 0.72 | — | — | |
| SCHEMBL126090 | 0.65 | — | — | |
| SCHEMBL6286107 | 0.64 | — | — | |
| SCHEMBL12559738 | 0.61 | — | — | |
| SCHEMBL12334043 | 0.61 | — | — | |
| Ammonia Solution, Strong SCHEMBL9929546 | 0.61 | — | — | |
| SCHEMBL11760806 | 0.61 | — | — | |
| SCHEMBL4335750 | 0.61 | — | — | |
| Hydrogen Sulfide SCHEMBL9309670 | 0.61 | ALDH1A1 (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4483784-A | SIZING COMPOSITION WITH EMULSIFIERS AND LUBRICANTS | PPG INDUSTRIES, INC. (US) | 1984-11-20 | — | — | US | disclosed |
| US-4440885-A | EMULSION OF ORGANIC PEROXIDE, HYDROCARBON SOLVENT AND NONIONIC SURFACTANT, WITH COUPLING AGENT | PPG INDUSTRIES, INC. (US) | 1984-04-03 | — | — | US | disclosed |
| US-4377498-A | Aqueous peroxide emulsion for use with glass fibers | PPG INDUSTRIES, INC. (US) | 1983-03-22 | — | — | US | disclosed |