⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1681634 | 0.97 | — | — | |
| Water SCHEMBL3732215 | 0.95 | — | — | |
| SCHEMBL4377472 | 0.95 | — | — | |
| Trifluoroacetic Acid SCHEMBL7187277 | 0.91 | — | — | |
| SCHEMBL4551239 | 0.83 | — | — | |
| SCHEMBL2325983 | 0.78 | CA2 (0.30) | — | |
| SCHEMBL2587734 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL727077 | 0.74 | — | — | |
| SCHEMBL27418881 | 0.72 | PLOD2 (0.32) | — | |
| SCHEMBL632464 | 0.71 | CA2 (0.37) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7655311-B2 | reaction product of a urethane prepolymer, polybutadienediol, and a polyol derivative of a fatty acid such as glycerol monooleate or polyglycerol monooleate and, optionally, a graft diol curative e.g.( polyethylhexyl acrylate)diol; roller for electrophotography, such as developer rollers | LEXMARK INTERNATIONAL, INC. (US) | 2010-02-02 | — | — | US | disclosed |
| US-20070021583-A1 | Homogeneous low hardness polyurethane | LEXMARK INTERNATIONAL, INC. | 2007-01-25 | — | — | US | disclosed |