⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL260629 | 0.96 | — | — | |
| Water SCHEMBL28118741 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL3256853 | 0.92 | — | — | |
| Iodide SCHEMBL27951207 | 0.92 | — | — | |
| Bromide SCHEMBL27510907 | 0.92 | — | — | |
| Trimethylammonium SCHEMBL28021240 | 0.92 | ALDH1A1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL28326899 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL28326901 | 0.89 | — | — | |
| Alcohol SCHEMBL35892 | 0.89 | — | — | |
| SCHEMBL5442848 | 0.86 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080305342-A1 | Aqueous polyurethane dispersions | LANXESS DEUTSCHLAND GMBH (DE) | 2008-12-11 | — | — | US | disclosed |
| US-20080108773-A1 | Polyurethane dispersions containing POSS nanoparticles | SOUTHERN MISSISSIPPI, UNIVERSITY OF, THE | 2008-05-08 | — | — | US | disclosed |
| US-20050222368-A1 | Aqueous polyurethane dispersions | LANXESS DEUTSCHLAND GMBH (DE) | 2005-10-06 | — | — | US | disclosed |
| US-6284836-B1 | COATINGS FOR WOOD, TEXTILE, PAPER, PLASTIC, METAL, OR LEATHER. | BAYER AKTIENGESELLSCHAFT (DE) | 2001-09-04 | — | — | US | disclosed |