⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18121933 | 0.81 | — | — | |
| Creatine SCHEMBL346039 | 0.78 | NOS3 (0.43) | — | |
| Creatine SCHEMBL8468423 | 0.78 | NOS3 (0.43) | — | |
| Creatine SCHEMBL27865596 | 0.78 | NOS3 (0.43) | — | |
| SCHEMBL1597034 | 0.78 | — | — | |
| SCHEMBL12132412 | 0.77 | — | — | |
| Creatine SCHEMBL30063981 | 0.77 | — | — | |
| SCHEMBL10145803 | 0.77 | ALDH1A1 (0.36) | — | |
| Creatine SCHEMBL21567 | 0.77 | — | — | |
| Creatine SCHEMBL27979093 | 0.77 | NOS3 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0660709-A1 | CREATINE ANALOGS HAVING ANTIVIRAL ACTIVITY | AMIRA, INC. (US) | 1995-07-05 | — | — | EP | claimed |
| WO-1993012781-A2 | CREATINE ANALOGS HAVING ANTIVIRAL ACTIVITY | AMIRA, INC. (US) | 1993-07-08 | — | — | WO | claimed |
| US-8063036-B2 | Benzamides and related inhibitors of factor Xa | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2011-11-22 | — | — | US | disclosed |
| US-20100298284-A1 | BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA | MILLENNIUM PHARMACEUTICALS, INC. | 2010-11-25 | — | — | US | disclosed |
| US-7727981-B2 | monoamidino-containing compounds having good bioavailability and/or solubility, used as potent and specific inhibitors of blood coagulation in mammals, and as therapeutic agents for disease states characterized by coagulation disorders | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2010-06-01 | — | — | US | disclosed |
| US-7727982-B2 | N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide; potent and highly selective inhibitors; coagulation disorders; antithrombotic agents; diagnostic reagents; good bioavailability and/or solubility | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2010-06-01 | — | — | US | disclosed |
| US-20090131411-A1 | monoamidino-containing compounds having good bioavailability and/or solubility, used as potent and specific inhibitors of blood coagulation in mammals, and as therapeutic agents for disease states characterized by coagulation disorders | MILLENNIUM PHARMACEUTICALS, INC. | 2009-05-21 | — | — | US | disclosed |
| US-7314874-B2 | N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide;modified amidine elements of high potency in vitro, excellent pharmacological and pharmaceutical properties in vivo | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2008-01-01 | — | — | US | disclosed |
| US-20070021472-A1 | N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide; potent and highly selective inhibitors; coagulation disorders; antithrombotic agents; diagnostic reagents; good bioavailability and/or solubility | MILLENNIUM PHARMACEUTICALS, INC. | 2007-01-25 | — | — | US | disclosed |
| EP-0660709-A1 | CREATINE ANALOGS HAVING ANTIVIRAL ACTIVITY | AMIRA, INC. (US) | 1995-07-05 | — | — | EP | disclosed |
| US-5324731-A | Method of inhibiting transformation of cells in which purine metabolic enzyme activity is elevated | AMIRA, INC. (US) | 1994-06-28 | — | — | US | disclosed |
| WO-1993012781-A2 | CREATINE ANALOGS HAVING ANTIVIRAL ACTIVITY | AMIRA, INC. (US) | 1993-07-08 | — | — | WO | disclosed |