⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9589720 | 0.85 | — | — | |
| SCHEMBL12081771 | 0.80 | ALDH1A1 (0.43) | — | |
| SCHEMBL28513132 | 0.80 | — | — | |
| SCHEMBL294245 | 0.79 | — | — | |
| SCHEMBL152135 | 0.78 | — | — | |
| SCHEMBL38654455 | 0.78 | ALDH1A1 (0.42) | — | |
| SCHEMBL28520891 | 0.77 | SLC6A5 (0.40) | — | |
| SCHEMBL1387480 | 0.76 | — | — | |
| SCHEMBL4760493 | 0.76 | — | — | |
| SCHEMBL1416074 | 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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090181958-A1 | SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2009-07-16 | — | — | US | claimed |
| US-7429597-B2 | Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) | 2008-09-30 | — | — | US | claimed |
| EP-1583757-A1 | NOVEL SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES AND USE THEREOF AS FACTOR XA INHIBITORS | Boehringer Ingelheim Pharma GmbH & Co.KG (DE) | 2005-10-12 | — | — | EP | claimed |
| US-20040176603-A1 | Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-09-09 | — | — | US | claimed |
| WO-2004058743-A1 | NOVEL SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES AND USE THEREOF AS FACTOR XA INHIBITORS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-07-15 | — | — | WO | claimed |
| EP-0861249-A1 | SUBSTITUTED SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS | G.D. SEARLE & CO. (US) | 1998-09-02 | — | — | EP | claimed |
| US-5753660-A | Substituted sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors | G. D. SEARLE & CO. (US) | 1998-05-19 | — | — | US | claimed |
| WO-1997018205-A1 | SUBSTITUTED SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS | G.D. SEARLE & CO. (US) | 1997-05-22 | — | — | WO | claimed |
| CN-112110891-A | Tellurolactone and method for preparing ditellurium compound by using same | 清华大学 | 2020-12-22 | — | — | CN | disclosed |
| US-20090181958-A1 | SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2009-07-16 | — | — | US | disclosed |
| US-7429597-B2 | Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) | 2008-09-30 | — | — | US | disclosed |
| EP-1583757-A1 | NOVEL SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES AND USE THEREOF AS FACTOR XA INHIBITORS | Boehringer Ingelheim Pharma GmbH & Co.KG (DE) | 2005-10-12 | — | — | EP | disclosed |
| US-20040176603-A1 | Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-09-09 | — | — | US | disclosed |
| WO-2004058743-A1 | NOVEL SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES AND USE THEREOF AS FACTOR XA INHIBITORS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-07-15 | — | — | WO | disclosed |
| EP-0861249-A1 | SUBSTITUTED SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS | G.D. SEARLE & CO. (US) | 1998-09-02 | — | — | EP | disclosed |
| US-5753660-A | Substituted sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors | G. D. SEARLE & CO. (US) | 1998-05-19 | — | — | US | disclosed |
| WO-1997018205-A1 | SUBSTITUTED SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS | G.D. SEARLE & CO. (US) | 1997-05-22 | — | — | WO | disclosed |
| EP-0322198-B1 | Pheophorbide derivatives | HAMARI YAKUHIN KOGYO KK (JP) | 1994-05-18 | — | — | EP | disclosed |
| US-5231101-A | Antihistamines | SS PHARMACEUTICAL CO., LTD. (JP) | 1993-07-27 | — | — | US | disclosed |
| EP-0495484-A1 | Novel benzo [5,6] cyclohepta [1,2-b] pyridine derivatives and antiallergic agents comprising same | SS PHARMACEUTICAL CO., LTD. (JP) | 1992-07-22 | — | — | EP | disclosed |