⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL425715 | 0.84 | EPHX1 (0.35) | — | |
| SCHEMBL5960782 | 0.77 | EPHX1 (0.41) | — | |
| SCHEMBL5960735 | 0.77 | EPHX1 (0.41) | — | |
| SCHEMBL5960754 | 0.77 | EPHX1 (0.41) | — | |
| SCHEMBL424481 | 0.77 | EPHX1 (0.41) | — | |
| SCHEMBL5960812 | 0.77 | EPHX1 (0.41) | — | |
| SCHEMBL423499 | 0.77 | EPHX1 (0.41) | — | |
| SCHEMBL5960814 | 0.77 | EPHX1 (0.41) | — | |
| SCHEMBL426531 | 0.77 | EPHX1 (0.41) | — | |
| SCHEMBL5960755 | 0.77 | EPHX1 (0.41) | — |
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-1996001811-A1 | 2-SUBSTITUTED 1,25-DIHYDROXYVITAMIN D3 DERIVATIVES | THE JOHNS-HOPKINS UNIVERSITY (US) | 1996-01-25 | — | — | WO | disclosed |