⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28441660 | 0.81 | — | — | |
| SCHEMBL13947053 | 0.78 | — | — | |
| SCHEMBL14702933 | 0.78 | — | — | |
| SCHEMBL13826060 | 0.78 | — | — | |
| SCHEMBL28135525 | 0.78 | — | — | |
| SCHEMBL13778558 | 0.78 | — | — | |
| SCHEMBL10709484 | 0.76 | — | — | |
| SCHEMBL17656197 | 0.76 | — | — | |
| SCHEMBL27743237 | 0.74 | — | — | |
| SCHEMBL11706106 | 0.73 | ALDH1A1 (0.35) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6235711-B1 | Cell adhesion ihibiting compounds | ZENECA LIMITED (GB) | 2001-05-22 | — | — | US | disclosed |
| US-6034056-A | CYCLIC PEPTIDES; ANTIARTHRITIC AGENTS | ZENECA LIMITED (GB) | 2000-03-07 | — | — | US | disclosed |
| EP-0910582-A1 | CELL ADHESION INHIBITING COMPOUNDS | ZENECA LIMITED (GB) | 1999-04-28 | — | — | EP | disclosed |
| WO-1997049731-A1 | CELL ADHESION INHIBITING COMPOUNDS | ZENECA LIMITED (GB) | 1997-12-31 | — | — | WO | disclosed |
| EP-0800535-A1 | FIBRONECTIN ADHESION INHIBITORS | ZENECA LIMITED (GB) | 1997-10-15 | — | — | EP | disclosed |
| WO-1996020216-A1 | FIBRONECTIN ADHESION INHIBITORS | ZENECA LIMITED (GB) | 1996-07-04 | — | — | WO | disclosed |