⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29008238 | 1.00 | — | — | |
| SCHEMBL994327 | 0.87 | — | — | |
| SCHEMBL9067282 | 0.86 | — | — | |
| SCHEMBL28663623 | 0.84 | ALDH1A1 (0.31) | — | |
| SCHEMBL8811482 | 0.84 | ALDH1A1 (0.31) | — | |
| SCHEMBL21750 | 0.84 | ALDH1A1 (0.31) | — | |
| SCHEMBL266472 | 0.80 | — | — | |
| SCHEMBL20587797 | 0.80 | — | — | |
| SCHEMBL3860331 | 0.78 | MEN1 (0.32) | — | |
| SCHEMBL109566 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101768861-A | Method for endowing polyester fiber with hydrophobic function | KEIICHIRO KANAKU | 2010-07-07 | — | — | CN | disclosed |
| US-4505792-A | Photochemical rearrangement of 2-aminopyrrolin-5-ones to aminocyclopropyl isocyanates and polymers thereof | UNIVERSITY PATENTS, INC. (US) | 1985-03-19 | — | — | US | disclosed |
| US-4380647-A | 2-Aminopyrrolin 5-ones and aminocyclopropyl isocyanates therefrom | UNIVERSITY PATENTS, INC. (US) | 1983-04-19 | — | — | US | disclosed |