⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7251719 | 0.89 | — | — | |
| SCHEMBL6432765 | 0.87 | — | — | |
| SCHEMBL6439230 | 0.85 | POLB (0.33) | — | |
| SCHEMBL7252517 | 0.79 | ACE (0.33) | — | |
| SCHEMBL7029267 | 0.70 | KMT2A (0.33) | — | |
| SCHEMBL7849798 | 0.69 | KMT2A (0.38) | — | |
| SCHEMBL6432093 | 0.66 | PTPN2 (0.34) | — | |
| SCHEMBL7536578 | 0.65 | PTPN1 (0.38) | — | |
| SCHEMBL6437604 | 0.65 | PTPN1 (0.38) | — | |
| SCHEMBL6432360 | 0.64 | KMT2A (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1404682-A1 | METHOD OF INHIBITING PTP 1B AND/OR T-CELL PTP AND/OR OTHER PTPASES WITH AN ASP RESIDUE AT POSITION 48 | Novo Nordisk A/S (DK) | 2004-04-07 | — | — | EP | disclosed |
| WO-2003002569-A1 | METHOD OF INHIBITING PTP 1B AND/OR T-CELL PTP AND/OR OTHER PTPASES WITH AN ASP RESIDUE AT POSITION 48 | NOVO NORDISK A/S (DK) | 2003-01-09 | — | — | WO | disclosed |