⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2382694 | 0.98 | CA2 (0.40) | — | |
| Urea SCHEMBL2682647 | 0.96 | CA2 (0.39) | — | |
| SCHEMBL5544301 | 0.93 | — | — | |
| SCHEMBL7458218 | 0.80 | — | — | |
| SCHEMBL27323442 | 0.80 | CA2 (0.44) | — | |
| SCHEMBL1919225 | 0.78 | CA2 (0.43) | — | |
| SCHEMBL3466500 | 0.78 | CA2 (0.43) | — | |
| SCHEMBL16611379 | 0.76 | — | — | |
| SCHEMBL903295 | 0.76 | — | — | |
| SCHEMBL20197951 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20090093464-A1 | Naphthalene Derivatives as Modulators of the Glucocorticoid Receptor | SMITHKLINE BEECHMA CORPORATION (US) | 2009-04-09 | — | — | US | disclosed |
| US-20080064682-A1 | Pyrazole Derivatives | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2008-03-13 | — | — | US | disclosed |
| EP-1851204-A1 | NAPHTHALENE DERIVATIVES AS MODULATORS OF THE GLUCOCORTICOID RECEPTOR | SmithKline Beecham Corporation (US) | 2007-11-07 | — | — | EP | disclosed |
| EP-1762568-A1 | PYRAZOLE DERIVATIVES | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2007-03-14 | — | — | EP | disclosed |
| WO-2006091592-A1 | NAPHTHALENE DERIVATIVES AS MODULATORS OF THE GLUCOCORTICOID RECEPTOR | SMITHKLINE BEECHAM CORPORATION (US) | 2006-08-31 | — | — | WO | disclosed |