⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20760805 | 0.78 | — | — | |
| SCHEMBL25662601 | 0.74 | — | — | |
| SCHEMBL19687931 | 0.74 | — | — | |
| SCHEMBL27397354 | 0.71 | FAAH (0.33) | — | |
| SCHEMBL10643011 | 0.62 | CES2 (0.32) | — | |
| SCHEMBL10643014 | 0.62 | CES2 (0.32) | — | |
| SCHEMBL18931793 | 0.62 | CES2 (0.32) | — | |
| SCHEMBL20761450 | 0.62 | CYP3A4 (0.31) | — | |
| SCHEMBL9501032 | 0.61 | CES2 (0.35) | — | |
| SCHEMBL11394611 | 0.60 | ALDH1A1 (0.38) | — |
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-1094994-A4 | AIR ENTRAINMENT WITH POLYOXYALKYLENE COPOLYMERS FOR CONCRETE TREATED WITH OXYALKYLENE SRA | GRACE W R & CO (US) | 2003-01-02 | — | — | EP | disclosed |
| US-6277191-B1 | FOR INCREASING RESISTANCE OF HYDRAULIC CEMENTITIOUS COMPOSITIONS, SUCH AS MORTAR, MASONRY, AND CONCRETE, TO FROST ATTACK AND DETERIORATION DUE TO REPEATED FREEZING AND THAWING | W. R. GRACE & CO.-CONN. | 2001-08-21 | — | — | US | disclosed |
| EP-1094994-A1 | AIR ENTRAINMENT WITH POLYOXYALKYLENE COPOLYMERS FOR CONCRETE TREATED WITH OXYALKYLENE SRA | W.R. Grace & Co.-Conn. (US) | 2001-05-02 | — | — | EP | disclosed |
| WO-1999065841-A1 | AIR ENTRAINMENT WITH POLYOXYALKYLENE COPOLYMERS FOR CONCRETE TREATED WITH OXYALKYLENE SRA | W. R. GRACE & CO.-CONN. (US) | 1999-12-23 | — | — | WO | disclosed |