⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL302547 | 0.80 | — | — | |
| SCHEMBL2174714 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL17276780 | 0.78 | — | — | |
| SCHEMBL20718876 | 0.77 | — | — | |
| SCHEMBL10782477 | 0.76 | — | — | |
| SCHEMBL123645 | 0.74 | — | — | |
| SCHEMBL4738323 | 0.72 | — | — | |
| SCHEMBL3623131 | 0.72 | — | — | |
| Ammonia Solution, Strong SCHEMBL153654 | 0.72 | — | — | |
| Iodide SCHEMBL27175612 | 0.72 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010040540-A1 | TWO-COMPONENT POLYURETHANE COATING COMPRISING SILANIZED POLYISOCYANATE CURING AGENTS, PROCESS FOR PREPARING SILANIZED POLYISOCYANATE CURING AGENTS AND CURING AGENTS PREPARED BY THE PROCESS | BASF COATINGS AG (DE) | 2010-04-15 | — | — | WO | claimed |