⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL830353 | 0.78 | — | — | |
| SCHEMBL675727 | 0.76 | — | — | |
| SCHEMBL819488 | 0.71 | TSHR (0.46) | — | |
| SCHEMBL12951713 | 0.71 | — | — | |
| SCHEMBL20794137 | 0.71 | USP2 (0.50) | — | |
| SCHEMBL7427892 | 0.70 | — | — | |
| E968 SCHEMBL6929603 | 0.68 | MGAM (0.31) | — | |
| SCHEMBL745886 | 0.67 | — | — | |
| SCHEMBL6180937 | 0.67 | MEN1 (0.43) | — | |
| SCHEMBL14470386 | 0.66 | TSHR (0.42) | — |
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-8513334-B2 | Functionalized polyurethane polyurea dispersions | BAYER MATERIALSCIENCE AG (DE) | 2013-08-20 | — | — | US | disclosed |
| EP-2398835-B1 | FUNCTIONALIZED POLYURETHANE POLYUREA DISPERSIONS | BAYER MATERIALSCIENCE AG (DE) | 2012-12-19 | — | — | EP | disclosed |
| US-20110288204-A1 | FUNCTIONALIZED POLYURETHANE POLYUREA DISPERSIONS | BAYER MATERIAL SCIENCE AG (DE) | 2011-11-24 | — | — | US | disclosed |
| EP-2221330-A1 | Functionalised polyurethane polyuric dispersions | Bayer MaterialScience AG (DE) | 2010-08-25 | — | — | EP | disclosed |