⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4873775 | 0.70 | — | — | |
| SCHEMBL13547680 | 0.68 | NOS3 (0.32) | — | |
| SCHEMBL19265588 | 0.68 | — | — | |
| Iodide SCHEMBL17611123 | 0.67 | NOS3 (0.31) | — | |
| SCHEMBL18488730 | 0.65 | NISCH (0.41) | — | |
| SCHEMBL18487216 | 0.64 | NISCH (0.40) | — | |
| SCHEMBL10070411 | 0.64 | NOS3 (0.32) | — | |
| SCHEMBL7622415 | 0.59 | — | — | |
| SCHEMBL7622411 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL8063368 | 0.57 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1133489-B9 | ISONIPECOTAMIDES FOR THE TREATMENT OF INTEGRIN-MEDIATED DISORDERS | ORTHO MCNEIL PHARM INC (US) | 2006-05-03 | — | — | EP | 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 |
| US-7718673-B2 | Isonipecotamides for the treatment of integrin-mediated disorders | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2010-05-18 | — | — | US | disclosed |
| EP-1133489-B9 | ISONIPECOTAMIDES FOR THE TREATMENT OF INTEGRIN-MEDIATED DISORDERS | ORTHO MCNEIL PHARM INC (US) | 2006-05-03 | — | — | EP | disclosed |
| EP-1133489-B1 | ISONIPECOTAMIDES FOR THE TREATMENT OF INTEGRIN-MEDIATED DISORDERS | ORTHO MCNEIL PHARM INC (US) | 2005-07-27 | — | — | EP | disclosed |
| EP-1533310-A1 | Isonipecotamides for the treatment of integrin-mediated disorders | Ortho-McNeil Pharmaceutical, Inc. (US) | 2005-05-25 | — | — | EP | disclosed |
| US-20030181440-A1 | Isonipecotamides for the treatment of integrin-mediated disorders | COSTANZO MICHAEL J (US) | 2003-09-25 | — | — | US | disclosed |
| EP-1133489-A1 | ISONIPECOTAMIDES FOR THE TREATMENT OF INTEGRIN-MEDIATED DISORDERS | Ortho-McNeil Pharmaceutical, Inc. (US) | 2001-09-19 | — | — | EP | disclosed |
| WO-2001023376-A1 | ISONIPECOTAMIDES FOR THE TREATMENT OF INTEGRIN-MEDIATED DISORDERS | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2001-04-05 | — | — | WO | disclosed |