⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8649653 | 1.00 | — | — | |
| SCHEMBL27827722 | 0.97 | — | — | |
| SCHEMBL11648969 | 0.79 | — | — | |
| SCHEMBL11648965 | 0.79 | — | — | |
| SCHEMBL13211917 | 0.74 | — | — | |
| SCHEMBL8646653 | 0.73 | TSHR (0.37) | — | |
| SCHEMBL9978571 | 0.73 | — | — | |
| SCHEMBL29414936 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL25676526 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL17192620 | 0.70 | TSHR (0.30) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0568976-B1 | Reactive aqueous polyurea dispersions prepared by an emulsion polymerization process | BAYER AG (US) | 1996-03-27 | — | — | EP | disclosed |
| EP-0524511-B1 | Process for the preparation of aqueous dispersions of blocked polyisocyanates | BAYER AG (US) | 1995-11-02 | — | — | EP | disclosed |
| US-5358997-A | Reactive aqueous polyurea dispersions prepared by an emulsion polymerization process | MILES INC. (US) | 1994-10-25 | — | — | US | disclosed |
| US-5300556-A | Process for the preparation of aqueous dispersions containing both blocked polyisocyanates and polyhydroxyl compounds | MILES INC. (US) | 1994-04-05 | — | — | US | disclosed |
| US-5296160-A | Aqueous dispersions of blocked polyisocyanates | MILES INC. (US) | 1994-03-22 | — | — | US | disclosed |
| EP-0568976-A1 | Reactive aqueous polyurea dispersions prepared by an emulsion polymerization process | Bayer Corporation (US) | 1993-11-10 | — | — | EP | disclosed |
| EP-0524511-A1 | Process for the preparation of aqueous dispersions of blocked polyisocyanates | Bayer Corporation (US) | 1993-01-27 | — | — | EP | disclosed |
| US-5157074-A | Aqueous compositions containing an at least partially blocked polyisocyanates and a trimerization catalyst and coatings and binders prepared therefrom | MILES INC. (US) | 1992-10-20 | — | — | US | disclosed |