⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2299069 | 0.38 | — | — | |
| SCHEMBL14401341 | 0.38 | — | — | |
| SCHEMBL19188454 | 0.38 | — | — | |
| SCHEMBL7014344 | 0.35 | — | — | |
| SCHEMBL11277497 | 0.35 | — | — | |
| SCHEMBL1468768 | 0.34 | — | — | |
| SCHEMBL39444 | 0.32 | TSHR (0.57) | — | |
| SCHEMBL560687 | 0.32 | — | — | |
| Hexamethylbenzene SCHEMBL114857 | 0.31 | RXFP1 (0.33) | — | |
| SCHEMBL18205013 | 0.31 | — | — |
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 |