⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8725915 | 0.93 | OPRM1 (0.30) | — | |
| SCHEMBL8933349 | 0.88 | FKBP1A (0.33) | — | |
| SCHEMBL8725919 | 0.87 | — | — | |
| SCHEMBL8933278 | 0.86 | OPRK1 (0.32) | — | |
| SCHEMBL6482023 | 0.86 | FAP (0.30) | — | |
| SCHEMBL8722615 | 0.83 | HRH3 (0.34) | — | |
| SCHEMBL7705663 | 0.80 | OPRM1 (0.32) | — | |
| SCHEMBL8722553 | 0.80 | — | — | |
| SCHEMBL6485866 | 0.79 | ITGB3 (0.33) | — | |
| SCHEMBL8725715 | 0.79 | ITGB3 (0.34) | — |
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-1996025426-A1 | NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 1996-08-22 | — | — | WO | disclosed |