⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1605796 | 0.85 | CYP4F2 (0.30) | — | |
| SCHEMBL1929410 | 0.81 | — | — | |
| SCHEMBL25916948 | 0.78 | GAA (0.39) | — | |
| SCHEMBL20210745 | 0.76 | LMNA (0.30) | — | |
| SCHEMBL1930125 | 0.74 | — | — | |
| SCHEMBL28869665 | 0.73 | LMNA (0.31) | — | |
| SCHEMBL28373032 | 0.71 | AR (0.31) | — | |
| SCHEMBL31637523 | 0.71 | LMNA (0.33) | — | |
| SCHEMBL4346472 | 0.70 | LMNA (0.44) | — | |
| SCHEMBL1811804 | 0.66 | LMNA (0.40) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2014692-B1 | Polyisocyanates containing allophanate and silane groups | COVESTRO DEUTSCHLAND AG (DE) | 2016-02-10 | — | — | EP | disclosed |
| EP-2305691-B1 | Highly functional polyisocyanates containing allophanate and silane groups | BAYER MATERIALSCIENCE AG (DE) | 2012-05-30 | — | — | EP | disclosed |
| US-20110082273-A1 | HIGH-FUNCTIONAL POLYISOCYANATES CONTAINING ALLOPHANATE AND SILANE GROUPS | BAYER MATERIALSCIENCE AG (DE) | 2011-04-07 | — | — | US | disclosed |
| EP-2305691-A1 | Highly functional polyisocyanates containing allophanate and silane groups | Bayer MaterialScience AG (DE) | 2011-04-06 | — | — | EP | disclosed |
| EP-2014692-A2 | Polyisocyanates containing allophanate and silane groups | Bayer MaterialScience AG (DE) | 2009-01-14 | — | — | EP | disclosed |