⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8324737 | 0.91 | ALDH1A1 (0.31) | — | |
| SCHEMBL8317153 | 0.87 | MEN1 (0.31) | — | |
| SCHEMBL8323491 | 0.84 | CCKBR (0.33) | — | |
| SCHEMBL13772309 | 0.81 | ITGAV (0.31) | — | |
| SCHEMBL8324387 | 0.79 | HDAC3 (0.35) | — | |
| SCHEMBL8325063 | 0.79 | HRH4 (0.38) | — | |
| SCHEMBL8322942 | 0.73 | HSP90AA1 (0.36) | — | |
| SCHEMBL8324137 | 0.73 | PRCP (0.33) | — | |
| SCHEMBL8323902 | 0.71 | GRIN2B (0.40) | — | |
| SCHEMBL8320315 | 0.71 | PRCP (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004058743-A1 | NOVEL SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES AND USE THEREOF AS FACTOR XA INHIBITORS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-07-15 | — | — | WO | disclosed |