⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9099304 | 0.50 | — | — | |
| SCHEMBL407220 | 0.48 | — | — | |
| SCHEMBL1988858 | 0.48 | — | — | |
| SCHEMBL269904 | 0.48 | — | — | |
| SCHEMBL165149 | 0.44 | — | — | |
| SCHEMBL1048661 | 0.42 | — | — | |
| SCHEMBL31511817 | 0.42 | S100A4 (0.54) | — | |
| SCHEMBL17159951 | 0.40 | ALDH1A1 (0.55) | — | |
| SCHEMBL17144230 | 0.37 | HDAC8 (0.44) | — | |
| SCHEMBL29385656 | 0.34 | HSP90AA1 (0.39) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1869013-A1 | SUBSTITUTED CHROMAN DERIVATIVES, METHOD FOR THE PRODUCTION AND THE USE THEREOF IN THE FORM OF ANTIPHLOGISTICS | Bayer Schering Pharma Aktiengesellschaft (DE) | 2007-12-26 | — | — | EP | disclosed |
| EP-1868986-A1 | TETRAHYDRONAPHTHALENE DERIVATIVES METHOD FOR THE PRODUCTION AND THE USE THEREOF IN THE FORM OF ANTIPHLOGISTICS | Bayer Schering Pharma Aktiengesellschaft (DE) | 2007-12-26 | — | — | EP | disclosed |
| WO-2006108712-A1 | TETRAHYDRONAPHTHALENE DERIVATIVES METHOD FOR THE PRODUCTION AND THE USE THEREOF IN THE FORM OF ANTIPHLOGISTICS | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2006-10-19 | — | — | WO | disclosed |
| WO-2006108711-A1 | SUBSTITUTED CHROMAN DERIVATIVES, METHOD FOR THE PRODUCTION AND THE USE THEREOF IN THE FORM OF ANTIPHLOGISTICS | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2006-10-19 | — | — | WO | disclosed |
| WO-2006108714-A2 | TETRAHYDRONAPHTHALENE DERIVATIVES METHOD FOR THE PRODUCTION AND THE USE THEREOF IN THE FORM OF ANTIPHLOGISTICS | SCHERING AKTIENGESELLSCHAFT (DE) | 2006-10-19 | — | — | WO | disclosed |