⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8419378 | 0.78 | — | — | |
| SCHEMBL482836 | 0.77 | — | — | |
| SCHEMBL8745314 | 0.77 | — | — | |
| SCHEMBL6878015 | 0.76 | — | — | |
| SCHEMBL790897 | 0.76 | — | — | |
| SCHEMBL2956967 | 0.75 | — | — | |
| SCHEMBL5201501 | 0.73 | — | — | |
| SCHEMBL9345643 | 0.72 | — | — | |
| SCHEMBL6901021 | 0.72 | — | — | |
| SCHEMBL28421752 | 0.71 | NAAA (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0883640-A1 | NOVEL POLYESTER POLYOLS AND THEIR USE AS THE POLYOL COMPONENT IN TWO-COMPONENT POLYURETHANE PAINTS | SYNTHOPOL CHEMIE Dr. rer. pol. Koch GmbH & CO. KG (DE) | 1998-12-16 | — | — | EP | disclosed |
| EP-0705858-B1 | Novel polyesterpolyols and their use as a polyolcomponent in two-component polyurethane lacquers | SYNTHOPOL CHEMIE DR KOCH (DE) | 1997-12-17 | — | — | EP | disclosed |
| WO-1997031964-A1 | NOVEL POLYESTER POLYOLS AND THEIR USE AS THE POLYOL COMPONENT IN TWO-COMPONENT POLYURETHANE PAINTS | SYNTHOPOL CHEMIE DR. RER. POL. KOCH GMBH & CO. KG (DE) | 1997-09-04 | — | — | WO | disclosed |
| EP-0705858-A2 | Novel polyesterpolyols and their use as a polyolcomponent in two-component polyurethane lacquers | SYNTHOPOL CHEMIE Dr. rer. pol. Koch GmbH & CO. KG (DE) | 1996-04-10 | — | — | EP | disclosed |