⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL821562 | 0.83 | ALDH1A1 (0.30) | — | |
| SCHEMBL5140045 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL808949 | 0.62 | FAAH (0.35) | — | |
| SCHEMBL868260 | 0.60 | TSHR (0.30) | — | |
| SCHEMBL22592188 | 0.60 | — | — | |
| SCHEMBL22592228 | 0.58 | ABCC4 (0.31) | — | |
| Norflurane SCHEMBL27811661 | 0.54 | — | — | |
| SCHEMBL2028541 | 0.54 | TSHR (0.33) | — | |
| SCHEMBL441729 | 0.54 | TSHR (0.33) | — | |
| SCHEMBL5671224 | 0.54 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1776119-B9 | TETRAHYDRO-NAPHTHALENE DERIVATIVES AS GLUCOCORTICOID RECEPTOR MODULATORS | GLAXO GROUP LTD (GB) | 2012-06-13 | — | — | EP | claimed |
| EP-1776119-B1 | TETRAHYDRO-NAPHTHALENE DERIVATIVES AS GLUCOCORTICOID RECEPTOR MODULATORS | GLAXO GROUP LTD (GB) | 2012-01-18 | — | — | EP | claimed |