⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL460153 | 0.79 | ALDH1A1 (0.33) | — | |
| SCHEMBL4591044 | 0.74 | PTPN1 (0.31) | — | |
| SCHEMBL4384017 | 0.69 | NPSR1 (0.33) | — | |
| SCHEMBL15923992 | 0.69 | NPSR1 (0.33) | — | |
| SCHEMBL8989653 | 0.69 | — | — | |
| SCHEMBL987674 | 0.64 | THRB (0.33) | — | |
| SCHEMBL3186176 | 0.61 | CYP3A4 (0.35) | — | |
| SCHEMBL3033826 | 0.60 | CYP3A4 (0.31) | — | |
| SCHEMBL27904725 | 0.59 | CYP3A4 (0.33) | — | |
| SCHEMBL8846408 | 0.58 | KDM4E (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2606074-B1 | CURABLE POLYMER MIXTURE | BYK CHEMIE GMBH (DE) | 2014-07-23 | — | — | EP | disclosed |
| EP-2606074-A1 | CURABLE POLYMER MIXTURE | BYK-Chemie GmbH (DE) | 2013-06-26 | — | — | EP | disclosed |
| WO-2012022436-A1 | CURABLE POLYMER MIXTURE | BYK-CHEMIE GMBH (DE) | 2012-02-23 | — | — | WO | disclosed |