⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9134033 | 0.80 | LMNA (0.32) | — | |
| SCHEMBL8990179 | 0.74 | ALDH1A1 (0.38) | — | |
| SCHEMBL8859000 | 0.68 | DNM1 (0.34) | — | |
| SCHEMBL9242887 | 0.64 | GPR84 (0.35) | — | |
| SCHEMBL4533483 | 0.63 | GPR84 (0.38) | — | |
| SCHEMBL25066926 | 0.60 | LMNA (0.34) | — | |
| SCHEMBL21030192 | 0.60 | LMNA (0.39) | — | |
| SCHEMBL12164023 | 0.57 | — | — | |
| SCHEMBL24140188 | 0.56 | LMNA (0.38) | — | |
| SCHEMBL13985798 | 0.55 | OPRM1 (0.50) | — |
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-1184364-B1 | COMB-SHAPED DIOL, WATER-SOLUBLE POLYURETHANE, AND USE THEREOF | MITSUI CHEMICALS INC (JP) | 2010-07-28 | — | — | EP | disclosed |
| US-6646093-B2 | Extruding auxiliary for cement materials, a mortar thickening agent, an underwater concrete thickening agent, a ceramics forming binder and a moisturizer for hair cosmetics; water and shape retention. | MITSUI CHEMICALS, INC. (JP) | 2003-11-11 | — | — | US | disclosed |
| US-6515050-B1 | An extruding auxiliary using the above novel water-soluble polyurethane; additive for underwater concrete | MITSUI CHEMICALS, INC. (JP) | 2003-02-04 | — | — | US | disclosed |
| US-20020045724-A1 | Water-souluble polyurthane having comb-shaped hydrophobic group and application thereof | MITSUI TAKEDA CHEMICALS, INC. (JP) | 2002-04-18 | — | — | US | disclosed |
| EP-1184364-A1 | COMB-SHAPED DIOL, WATER-SOLUBLE POLYURETHANE, AND USE THEREOF | Mitsui Chemicals, Inc. (JP) | 2002-03-06 | — | — | EP | disclosed |