⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1929410 | 0.86 | — | — | |
| SCHEMBL1605796 | 0.82 | CYP4F2 (0.30) | — | |
| SCHEMBL561290 | 0.77 | — | — | |
| SCHEMBL11969966 | 0.75 | — | — | |
| SCHEMBL1605097 | 0.75 | — | — | |
| SCHEMBL3620982 | 0.74 | LMNA (0.32) | — | |
| SCHEMBL30356260 | 0.70 | ALOX15 (0.31) | — | |
| SCHEMBL23931332 | 0.69 | — | — | |
| SCHEMBL1720122 | 0.68 | ALDH1A1 (0.35) | — | |
| SCHEMBL14744185 | 0.68 | — | — |
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 7 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-7956209-B2 | Polyisocyanates containing allophanate and silane groups | BAYER MATERIALSCIENCE AG (DE) | 2011-06-07 | — | — | US | 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 |
| US-20090018302-A1 | POLYISOCYANATES CONTAINING ALLOPHANATE AND SILANE GROUPS | BAYER MATERIALSCIENCE AG (DE) | 2009-01-15 | — | — | US | disclosed |
| EP-2014692-A2 | Polyisocyanates containing allophanate and silane groups | Bayer MaterialScience AG (DE) | 2009-01-14 | — | — | EP | disclosed |