⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL397697 | 0.90 | TSHR (0.40) | — | |
| SCHEMBL29022968 | 0.87 | ALDH1A1 (0.36) | — | |
| SCHEMBL9292265 | 0.82 | — | — | |
| SCHEMBL9613568 | 0.80 | — | — | |
| SCHEMBL137280 | 0.80 | MEN1 (0.30) | — | |
| SCHEMBL13239742 | 0.78 | ALDH1A1 (0.41) | — | |
| SCHEMBL18554723 | 0.77 | ALDH1A1 (0.34) | — | |
| SCHEMBL10642690 | 0.77 | TSHR (0.33) | — | |
| SCHEMBL3481681 | 0.76 | — | — | |
| SCHEMBL7779194 | 0.76 | 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-4439558-A | Aqueous peroxide emulsion for use with glass fibers | PPG INDUSTRIES, INC. (US) | 1984-03-27 | — | — | US | disclosed |
| US-4391876-A | WITH NONIONIC EMULSIFIER | PPG INDUSTRIES, INC. (US) | 1983-07-05 | — | — | US | disclosed |
| US-4093583-A | WITH AN ALPHA-OLEFIN AND A NONCONJUGATED DIENE, CURING AGENT, ACTIVATOR | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1978-06-06 | — | — | US | disclosed |