⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4188062 | 0.74 | — | — | |
| SCHEMBL791418 | 0.67 | — | — | |
| SCHEMBL30735 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL31478111 | 0.65 | — | — | |
| SCHEMBL5380749 | 0.63 | — | — | |
| SCHEMBL596987 | 0.63 | — | — | |
| SCHEMBL1755701 | 0.62 | — | — | |
| SCHEMBL5020014 | 0.62 | — | — | |
| SCHEMBL9134340 | 0.62 | — | — | |
| Iodide SCHEMBL7285999 | 0.60 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090203745-A1 | HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF | JERINI AG (DE) | 2009-08-13 | — | — | US | claimed |
| EP-2024357-A2 | NEW HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF | Jereni AG (DE) | 2009-02-18 | — | — | EP | claimed |
| WO-2007131764-A2 | NEW HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF | JERINI AG (DE) | 2007-11-22 | — | — | WO | claimed |
| US-6521646-B1 | Integrin inhibitors | MERCK PATENT GMBH (DE) | 2003-02-18 | — | — | US | claimed |
| US-8309735-B2 | Heterocyclic compounds for the inhibition of integrins and use thereof | SHIRE ORPHAN THERAPIES GMBH (DE) | 2012-11-13 | — | — | US | disclosed |
| US-20090203745-A1 | HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF | JERINI AG (DE) | 2009-08-13 | — | — | US | disclosed |
| EP-2024357-A2 | NEW HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF | Jereni AG (DE) | 2009-02-18 | — | — | EP | disclosed |
| WO-2007131764-A2 | NEW HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF | JERINI AG (DE) | 2007-11-22 | — | — | WO | disclosed |
| US-6521646-B1 | Integrin inhibitors | MERCK PATENT GMBH (DE) | 2003-02-18 | — | — | US | disclosed |