⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4157480 | 0.85 | — | — | |
| SCHEMBL6980482 | 0.85 | NFKB1 (0.33) | — | |
| SCHEMBL272222 | 0.80 | — | — | |
| SCHEMBL59942 | 0.78 | DNM1 (0.40) | — | |
| SCHEMBL2003862 | 0.76 | — | — | |
| SCHEMBL5621455 | 0.76 | ALDH1A1 (0.39) | — | |
| SCHEMBL302860 | 0.76 | DNM1 (0.44) | — | |
| SCHEMBL9661090 | 0.76 | DNM1 (0.44) | — | |
| SCHEMBL9660234 | 0.76 | DNM1 (0.44) | — | |
| SCHEMBL388594 | 0.76 | DNM1 (0.44) | — |
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-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 |
| US-20080132496-A1 | CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2008-06-05 | — | — | 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-20040220169-A1 | Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-11-04 | — | — | US | 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 |
| 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 |
| US-20080132496-A1 | CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2008-06-05 | — | — | US | disclosed |
| US-7326791-B2 | Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) | 2008-02-05 | — | — | US | 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 |