⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28193341 | 0.77 | — | — | |
| SCHEMBL21785 | 0.75 | — | — | |
| SCHEMBL620842 | 0.73 | — | — | |
| SCHEMBL11792937 | 0.73 | TSHR (0.30) | — | |
| SCHEMBL11343243 | 0.73 | CRBN (0.31) | — | |
| Urea SCHEMBL11078143 | 0.71 | ALDH1A1 (0.60) | — | |
| Hydrochloric Acid SCHEMBL28172272 | 0.71 | — | — | |
| SCHEMBL9056052 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL28971513 | 0.71 | — | — | |
| SCHEMBL27679243 | 0.71 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150259566-A1 | METHODS FOR PROVIDING A LOW GLOSS POLYURETHANE COATING ON A SUBSTRATE | BAYER MATERIALSCIENCE LLC (US) | 2015-09-17 | — | — | US | disclosed |
| WO-2015138227-A1 | METHODS FOR PROVIDING A LOW GLOSS POLYURETHANE COATING ON A SUBSTRATE | BAYER MATERIALSCIENCE LLC (US) | 2015-09-17 | — | — | WO | disclosed |