⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5026454 | 0.77 | PARP10 (0.34) | — | |
| SCHEMBL31348907 | 0.75 | ALOX5 (0.44) | — | |
| SCHEMBL29156721 | 0.74 | NPSR1 (0.47) | — | |
| SCHEMBL28601844 | 0.73 | LOXL2 (0.41) | — | |
| SCHEMBL29007663 | 0.72 | EPHX1 (0.35) | — | |
| SCHEMBL31267216 | 0.67 | TDP1 (0.33) | — | |
| SCHEMBL10712514 | 0.67 | CYP3A4 (0.38) | — | |
| SCHEMBL29243385 | 0.67 | ALOX5 (0.50) | — | |
| SCHEMBL28540156 | 0.67 | F11 (0.45) | — | |
| SCHEMBL25339719 | 0.67 | SLC6A3 (0.39) | — |
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 1 patent. 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 |