⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5657942 | 0.81 | CYP3A4 (0.31) | — | |
| SCHEMBL7895231 | 0.79 | — | — | |
| SCHEMBL28469184 | 0.76 | TDP1 (0.33) | — | |
| SCHEMBL12447233 | 0.71 | TDP1 (0.32) | — | |
| SCHEMBL3695152 | 0.70 | — | — | |
| SCHEMBL17905138 | 0.70 | TSHR (0.36) | — | |
| Ammonia Solution, Strong SCHEMBL6391508 | 0.70 | TDP1 (0.31) | — | |
| SCHEMBL8506502 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL5471232 | 0.67 | — | — | |
| SCHEMBL4831128 | 0.67 | GRIK1 (0.32) | — |
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-0823409-B1 | Cement retarder and cement retardative sheet | DAICEL DEGUSSA LTD (JP) | 2005-03-23 | — | — | EP | disclosed |
| US-6376580-B1 | USING ANIONIC POLYMER | DAICEL-HUELS LTD. (JP) | 2002-04-23 | — | — | US | disclosed |
| US-6077910-A | POLYMERIZABLE MACROMOLECULE HAVING AN ANIONIC GROUP OR A POLYMERIZABLE MACROMOLECULE WHICH CAN GENERATE THE ANIONIC GROUP. | DAICEL-HUELS LTD. (JP) | 2000-06-20 | — | — | US | disclosed |
| EP-0823409-A1 | Cement retarder and cement retardative sheet | Daicel-Huels Ltd. (JP) | 1998-02-11 | — | — | EP | disclosed |