⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL808481 | 0.76 | GRM6 (0.30) | — | |
| SCHEMBL39621 | 0.76 | — | — | |
| SCHEMBL7569651 | 0.76 | — | — | |
| SCHEMBL7416135 | 0.76 | — | — | |
| SCHEMBL350505 | 0.75 | — | — | |
| SCHEMBL3022477 | 0.74 | — | — | |
| SCHEMBL8818307 | 0.74 | — | — | |
| SCHEMBL18091807 | 0.74 | — | — | |
| SCHEMBL6935722 | 0.74 | — | — | |
| SCHEMBL5546831 | 0.73 | — | — |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9638690-B2 | Compounds and compositions for use as alkylating agent sensors and methods of use thereof | THE UNIVERSITY OF BRITISH COLUMBIA (CA) | 2017-05-02 | — | — | US | disclosed |
| US-20160131641-A1 | COMPOUNDS AND COMPOSITIONS FOR USE AS ALKYLATING AGENT SENSORS AND METHODS OF USE THEREOF | THE UNIVERSITY OF BRITISH COLUMBIA (CA) | 2016-05-12 | — | — | US | disclosed |
| US-7468378-B2 | Substituted quinoline compounds | PFIZER INC. (US) | 2008-12-23 | — | — | US | disclosed |
| US-7393958-B2 | Triamide-substituted heterobicyclic compounds | PFIZER, INC. (US) | 2008-07-01 | — | — | US | disclosed |
| US-7368573-B2 | Triamide-substituted heterobicyclic compounds | PFIZER INC. (US) | 2008-05-06 | — | — | US | disclosed |
| US-20070093525-A1 | Triamide-substituted heterobicyclic compounds | PFIZER INC | 2007-04-26 | — | — | US | disclosed |
| EP-1716137-A1 | SUBSTITUTED QUINOLINE COMPOUNDS | Pfizer Products Incorporated (US) | 2006-11-02 | — | — | EP | disclosed |
| US-20060223851-A1 | TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS | BERTINATO PETER | 2006-10-05 | — | — | US | disclosed |
| US-20060205751-A1 | Novel compounds | SMITHKLINE BEECHAM CORPORATION (US) | 2006-09-14 | — | — | US | disclosed |
| EP-1648885-A1 | NOVEL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2006-04-26 | — | — | EP | disclosed |
| US-20050234099-A1 | Substituted quinoline compounds | PFIZER INC | 2005-10-20 | — | — | US | disclosed |
| WO-2005080373-A1 | SUBSTITUTED QUINOLINE COMPOUNDS | PFIZER PRODUCTS INC. (US) | 2005-09-01 | — | — | WO | disclosed |
| WO-2005009993-A1 | NOVEL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2005-02-03 | — | — | WO | disclosed |
| US-6153605-A | Arylsecocholadiene derivatives | HOFFMAN-LA ROCHE INC. (US) | 2000-11-28 | — | — | US | disclosed |
| EP-0977734-A2 | ARYLSECOCHOLADIENE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2000-02-09 | — | — | EP | disclosed |
| WO-1998047866-A2 | ARYLSECOCHOLADIENE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1998-10-29 | — | — | WO | disclosed |
| WO-1995003700-A1 | BRIDGED BIPHENYL CARBAPENEM ANTIBACTERIAL COMPOUNDS | MERCK & CO., INC. (US) | 1995-02-09 | — | — | WO | disclosed |
| WO-1995003699-A1 | BRIDGED BIPHENYL CARBAPENEM COMPOUNDS AND METHODS OF USE | MERCK & CO., INC. (US) | 1995-02-09 | — | — | WO | disclosed |
| US-5374630-A | Bridged carbapenem antibacterial compounds | MERCK & CO., INC. (US) | 1994-12-20 | — | — | US | disclosed |
| US-5372993-A | Bridged carbapenem compounds, compositions containing such compounds and methods of use | MERCK & CO., INC. (US) | 1994-12-13 | — | — | US | disclosed |