⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3562028 | 1.00 | — | — | |
| SCHEMBL2632683 | 0.88 | CHRM1 (0.51) | — | |
| SCHEMBL2632445 | 0.88 | CHRM1 (0.51) | — | |
| SCHEMBL92495 | 0.88 | CHRNB2 (0.42) | — | |
| SCHEMBL10049922 | 0.88 | CHRM1 (0.51) | — | |
| SCHEMBL3008190 | 0.88 | CHRNB2 (0.42) | — | |
| SCHEMBL2149346 | 0.86 | SLC6A2 (0.36) | — | |
| SCHEMBL14924890 | 0.86 | CHRM1 (0.47) | — | |
| SCHEMBL25501634 | 0.86 | CHRM1 (0.47) | — | |
| Hydrochloric Acid SCHEMBL1223342 | 0.84 | GNAO1 (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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9567340-B2 | Unsymmetrical pyrrolobenzodiazepines-dimers for use in the treatment of proliferative and autoimmune diseases | MEDIMMUNE LIMITED (GB) | 2017-02-14 | — | — | US | disclosed |
| US-20130065882-A1 | VLA-4 inhibitory drug | MACHINAGA NOBUO (JP) | 2013-03-14 | — | — | US | disclosed |
| US-20120157437-A1 | VLA-4 INHIBITORY DRUG | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2012-06-21 | — | — | US | disclosed |
| US-20120077794-A1 | BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS | GLAXSMITHKLINE LLC (US) | 2012-03-29 | — | — | US | disclosed |
| US-7910590-B2 | Cyclic amine bace-1 inhibitors having a heterocyclic substituent | SCHERING CORPORATION (US) | 2011-03-22 | — | — | US | disclosed |
| US-20090312341-A1 | CYCLIC AMINE BACE-1 INHIBITORS HAVING A HETEROCYCLIC SUBSTITUENT | SCHERING CORPORATION | 2009-12-17 | — | — | US | disclosed |
| US-7598250-B2 | Cyclic amine BACE-1 inhibitors having a heterocyclic substituent | SCHERING CORPORATION (US) | 2009-10-06 | — | — | US | disclosed |
| EP-1660447-B1 | CYCLIC AMINE BACE-1 INHIBITORS HAVING A HETEROCYCLIC SUBSTITUENT | SCHERING CORP (US) | 2008-07-30 | — | — | EP | disclosed |
| US-7030141-B2 | Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade | WARNER-LAMBERT COMPANY LLC | 2006-04-18 | — | — | US | disclosed |
| WO-2005014540-A1 | CYCLIC AMINE BASE-1 INHIBITORS HAVING A HETEROCYCLIC SUBSTITUENT | SCHERING CORPORATION (US) | 2005-02-17 | — | — | WO | disclosed |
| EP-1465864-A1 | INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE | Warner-Lambert Company LLC (US) | 2004-10-13 | — | — | EP | disclosed |
| WO-2003045912-A1 | INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE | WARNER-LAMBERT COMPANY LLC (US) | 2003-06-05 | — | — | WO | disclosed |