⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7408247 | 0.73 | MAOB (0.32) | — | |
| SCHEMBL3835903 | 0.69 | FFAR4 (0.31) | — | |
| SCHEMBL3835906 | 0.65 | — | — | |
| SCHEMBL1638010 | 0.63 | MAPT (0.46) | — | |
| SCHEMBL30308269 | 0.63 | MAPT (0.46) | — | |
| SCHEMBL25294776 | 0.61 | PTPN1 (0.55) | — | |
| SCHEMBL11772974 | 0.61 | HPGD (0.50) | — | |
| SCHEMBL27484660 | 0.58 | AKR1C3 (0.55) | — | |
| SCHEMBL26599129 | 0.57 | F2R (0.46) | — | |
| SCHEMBL30606598 | 0.57 | F2R (0.46) | — |
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-0946508-A1 | NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS | Du Pont Pharmaceuticals Company (US) | 1999-10-06 | — | — | EP | disclosed |
| WO-1998028269-A1 | NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS | DU PONT PHARMACEUTICALS COMPANY (US) | 1998-07-02 | — | — | WO | disclosed |