⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10581419 | 0.87 | — | — | |
| SCHEMBL45919 | 0.76 | — | — | |
| SCHEMBL28859601 | 0.74 | — | — | |
| SCHEMBL190975 | 0.74 | — | — | |
| SCHEMBL7709264 | 0.73 | ALDH1A1 (0.35) | — | |
| SCHEMBL5605487 | 0.73 | — | — | |
| SCHEMBL6026639 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL28928267 | 0.69 | ALDH1A1 (0.42) | — | |
| SCHEMBL4556774 | 0.69 | — | — | |
| SCHEMBL3647080 | 0.68 | ALDH1A1 (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-2004742-A1 | COMPOSITION CONTAINING POLYMERS, COLOURING AGENTS AND STABILISERS | BASF SE (DE) | 2008-12-24 | — | — | EP | disclosed |
| EP-1994068-A1 | FLUORINE-MODIFIED ADDITIVE FOR CEMENTITIOUS PRODUCTS, PROCESS FOR ITS PREPARATION AND USE THEREOF | Construction Research and Technology GmbH (DE) | 2008-11-26 | — | — | EP | disclosed |
| WO-2007113248-A1 | COMPOSITION CONTAINING POLYMERS, COLOURING AGENTS AND STABILISERS | BASF SE (DE) | 2007-10-11 | — | — | WO | disclosed |
| WO-2007104494-A1 | FLUORINE-MODIFIED ADDITIVE FOR CEMENTITIOUS PRODUCTS, PROCESS FOR ITS PREPARATION AND USE THEREOF | CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) | 2007-09-20 | — | — | WO | disclosed |