⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2447053 | 0.74 | — | — | |
| SCHEMBL333354 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL18154527 | 0.72 | — | — | |
| SCHEMBL30927690 | 0.69 | MAP2K1 (0.33) | — | |
| SCHEMBL25410272 | 0.68 | ALDH1A1 (0.36) | — | |
| SCHEMBL31734201 | 0.68 | ALDH1A1 (0.36) | — | |
| SCHEMBL31220768 | 0.68 | ALDH1A1 (0.36) | — | |
| Urea SCHEMBL1100629 | 0.65 | PYGM (0.31) | — | |
| SCHEMBL1646396 | 0.65 | — | — | |
| SCHEMBL896392 | 0.63 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080221082-A1 | Ligands of Integrin Receptors | ABBOTT GMBH & CO. KG (DE) | 2008-09-11 | — | — | US | disclosed |
| EP-1286673-B8 | LIGANDS OF INTEGRIN RECEPTORS | ABBOTT GMBH & CO KG (DE) | 2005-07-20 | — | — | EP | disclosed |
| EP-1286673-B1 | LIGANDS OF INTEGRIN RECEPTORS | BASF AG (DE) | 2005-05-25 | — | — | EP | disclosed |
| EP-1286673-A2 | LIGANDS OF INTEGRIN RECEPTORS | Basf Aktiengesellschaft (DE) | 2003-03-05 | — | — | EP | disclosed |
| WO-2001093840-A2 | LIGANDS OF INTEGRIN RECEPTORS | BASF AG (DE) | 2001-12-13 | — | — | WO | disclosed |