⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL443371 | 0.97 | — | — | |
| SCHEMBL4511207 | 0.97 | — | — | |
| SCHEMBL8224280 | 0.80 | — | — | |
| SCHEMBL8224492 | 0.78 | — | — | |
| SCHEMBL5571376 | 0.78 | — | — | |
| SCHEMBL9116646 | 0.69 | — | — | |
| SCHEMBL6946235 | 0.69 | — | — | |
| SCHEMBL8226270 | 0.69 | — | — | |
| SCHEMBL9865271 | 0.65 | — | — | |
| SCHEMBL8984853 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0377931-B1 | Isocyanate modified blocked sulfonic acid ester as a crosslinking catalyst | KING INDUSTRIES INC (US) | 1993-11-03 | — | — | EP | disclosed |
| US-5102961-A | Of hydroxyl, carboxyl or amide containing polymers; improved hardness, flexibility, adhesion and impact strength | KING INDUSTRIES (US) | 1992-04-07 | — | — | US | disclosed |
| EP-0377931-A2 | Isocyanate modified blocked sulfonic acid ester as a crosslinking catalyst | KING INDUSTRIES, INC. (US) | 1990-07-18 | — | — | EP | disclosed |