⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5563394 | 0.97 | NOS3 (0.81) | — | |
| SCHEMBL5563387 | 0.97 | NOS3 (0.81) | — | |
| Iodide SCHEMBL10973537 | 0.97 | — | — | |
| SCHEMBL5563390 | 0.97 | NOS3 (0.81) | — | |
| SCHEMBL105170 | 0.92 | — | — | |
| Bromide SCHEMBL2295025 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL3368438 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL3568949 | 0.90 | — | — | |
| Nitric Acid SCHEMBL10980928 | 0.84 | NOS3 (0.61) | — | |
| SCHEMBL127079 | 0.80 | — | — |
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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7718673-B2 | Isonipecotamides for the treatment of integrin-mediated disorders | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2010-05-18 | — | — | US | claimed |
| US-20090203745-A1 | HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF | JERINI AG (DE) | 2009-08-13 | — | — | US | claimed |
| US-20090104116-A1 | COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF | JERINI AG (DE) | 2009-04-23 | — | — | US | claimed |
| EP-2024357-A2 | NEW HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF | Jereni AG (DE) | 2009-02-18 | — | — | EP | claimed |
| EP-1979342-A1 | COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF | Jerini AG (DE) | 2008-10-15 | — | — | EP | claimed |
| WO-2007131764-A2 | NEW HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF | JERINI AG (DE) | 2007-11-22 | — | — | WO | claimed |
| WO-2007088041-A1 | COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF | JERINI AG (DE) | 2007-08-09 | — | — | WO | claimed |
| US-20070155712-A1 | Compounds for the inhibition of angiogenesis and use thereof | JERINI AG (DE) | 2007-07-05 | — | — | US | claimed |
| WO-2005090329-A9 | NEW COMPOUNDS FOR THE INHIBITION OF ANGIOGENESIS AND USE OF THEREOF | JERINI AG (DE) | 2007-02-01 | — | — | WO | claimed |
| EP-1727811-A1 | NEW COMPOUNDS FOR THE INHIBITION OF ANGIOGENESIS AND USE OF THEREOF | Jerini AG (DE) | 2006-12-06 | — | — | EP | claimed |
| EP-1133489-B9 | ISONIPECOTAMIDES FOR THE TREATMENT OF INTEGRIN-MEDIATED DISORDERS | ORTHO MCNEIL PHARM INC (US) | 2006-05-03 | — | — | EP | claimed |
| WO-2005090329-A1 | NEW COMPOUNDS FOR THE INHIBITION OF ANGIOGENESIS AND USE OF THEREOF | JERINI AG (DE) | 2005-09-29 | — | — | WO | claimed |
| EP-1133489-B1 | ISONIPECOTAMIDES FOR THE TREATMENT OF INTEGRIN-MEDIATED DISORDERS | ORTHO MCNEIL PHARM INC (US) | 2005-07-27 | — | — | EP | claimed |
| EP-1533310-A1 | Isonipecotamides for the treatment of integrin-mediated disorders | Ortho-McNeil Pharmaceutical, Inc. (US) | 2005-05-25 | — | — | EP | claimed |
| US-20030181440-A1 | Isonipecotamides for the treatment of integrin-mediated disorders | COSTANZO MICHAEL J (US) | 2003-09-25 | — | — | US | claimed |
| EP-1133489-A1 | ISONIPECOTAMIDES FOR THE TREATMENT OF INTEGRIN-MEDIATED DISORDERS | Ortho-McNeil Pharmaceutical, Inc. (US) | 2001-09-19 | — | — | EP | claimed |
| WO-2001023376-A1 | ISONIPECOTAMIDES FOR THE TREATMENT OF INTEGRIN-MEDIATED DISORDERS | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2001-04-05 | — | — | WO | claimed |
| US-8927534-B2 | Compounds for the inhibition of integrins and use thereof | SHIRE ORPHAN THERAPIES GMBH (DE) | 2015-01-06 | — | — | US | disclosed |
| US-20030181440-A1 | Isonipecotamides for the treatment of integrin-mediated disorders | COSTANZO MICHAEL J (US) | 2003-09-25 | — | — | US | disclosed |
| US-4379786-A | N-Aryl-N-(4,5,6,7-tetrahydro-1H-1,3, diazepin-2-yl)ureas as antihypertensives | MCNEILAB, INC. (US) | 1983-04-12 | — | — | US | disclosed |