⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5745422 | 0.88 | RIPK2 (0.31) | — | |
| SCHEMBL5312279 | 0.79 | RECQL (0.33) | — | |
| SCHEMBL7102174 | 0.78 | SCN9A (0.38) | — | |
| SCHEMBL5311884 | 0.73 | DGAT1 (0.33) | — | |
| SCHEMBL1437464 | 0.72 | — | — | |
| SCHEMBL2608422 | 0.69 | GABRA1 (0.42) | — | |
| SCHEMBL16544983 | 0.69 | CA12 (0.32) | — | |
| SCHEMBL2529902 | 0.68 | KIF11 (0.38) | — | |
| SCHEMBL5458120 | 0.68 | CYP3A4 (0.38) | — | |
| SCHEMBL5881936 | 0.68 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8962834-B2 | Modulators of amyloid beta | HOFFMANN-LA ROCHE INC. (US) | 2015-02-24 | — | — | US | disclosed |
| EP-2257541-B1 | MODULATORS FOR AMYLOID BETA | HOFFMANN LA ROCHE (CH) | 2013-08-14 | — | — | EP | disclosed |
| US-20130190302-A1 | MODULATORS OF AMYLOID BETA | HOFFMANN-LA ROCHE INC. (US) | 2013-07-25 | — | — | US | disclosed |
| EP-2257541-A1 | MODULATORS FOR AMYLOID BETA | F. Hoffmann-La Roche AG (CH) | 2010-12-08 | — | — | EP | disclosed |
| US-20090215759-A1 | MODULATORS FOR AMYLOID BETA | HOFFMANN-LA ROCHE, INC. | 2009-08-27 | — | — | US | disclosed |
| WO-2009103652-A1 | MODULATORS FOR AMYLOID BETA | F. HOFFMANN-LA ROCHE AG (CH) | 2009-08-27 | — | — | WO | disclosed |
| EP-1404672-B1 | TYROSINE KINASE INHIBITORS | MERCK & CO INC (US) | 2006-01-18 | — | — | EP | disclosed |
| US-6875767-B2 | (5-cyano-2-thiazolyl)amino-4-pyridine tyrosine kinase inhibitors | MERCK & CO., INC. (US) | 2005-04-05 | — | — | US | disclosed |
| EP-1404672-A1 | TYROSINE KINASE INHIBITORS | Merck & Co., Inc. (US) | 2004-04-07 | — | — | EP | disclosed |
| US-20030100567-A1 | Tyrosine kinase inhibitors | MERCK & CO., INC. | 2003-05-29 | — | — | US | disclosed |
| WO-2003000687-A1 | TYROSINE KINASE INHIBITORS | MERCK & CO., INC. (US) | 2003-01-03 | — | — | WO | disclosed |