⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19987948 | 0.73 | EPHX2 (0.41) | — | |
| SCHEMBL29148112 | 0.66 | EPHX2 (0.42) | — | |
| SCHEMBL538937 | 0.65 | PMP22 (0.51) | — | |
| SCHEMBL28302805 | 0.65 | EPHX2 (0.39) | — | |
| SCHEMBL28735867 | 0.64 | EPHX2 (0.34) | — | |
| SCHEMBL11294427 | 0.61 | EPHX2 (0.38) | — | |
| SCHEMBL6948264 | 0.60 | EPHX2 (0.37) | — | |
| SCHEMBL6421931 | 0.59 | KDM1A (0.39) | — | |
| SCHEMBL7745867 | 0.59 | KDM4E (0.36) | — | |
| SCHEMBL8570025 | 0.58 | EPHX2 (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0586523-A4 | DETERMINATION OF PRODRUGS METABOLIZABLE BY THE LIVER AND THERAPEUTIC USE THEREOF | UNIV YALE (US) | 1995-11-29 | — | — | EP | disclosed |
| EP-0586523-A1 | DETERMINATION OF PRODRUGS METABOLIZABLE BY THE LIVER AND THERAPEUTIC USE THEREOF | YALE UNIVERSITY (US) | 1994-03-16 | — | — | EP | disclosed |
| WO-1992020816-A1 | DETERMINATION OF PRODRUGS METABOLIZABLE BY THE LIVER AND THERAPEUTIC USE THEREOF | YALE UNIVERSITY (US) | 1992-11-26 | — | — | WO | disclosed |