⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6852084 | 0.98 | — | — | |
| SCHEMBL6850330 | 0.98 | — | — | |
| SCHEMBL6850307 | 0.83 | — | — | |
| SCHEMBL6846572 | 0.82 | — | — | |
| SCHEMBL6850384 | 0.82 | — | — | |
| SCHEMBL20365508 | 0.70 | CYP4F2 (0.36) | — | |
| SCHEMBL11127725 | 0.69 | CYP4F2 (0.31) | — | |
| SCHEMBL11233349 | 0.69 | CYP4F2 (0.31) | — | |
| SCHEMBL11238651 | 0.69 | CYP4F2 (0.31) | — | |
| SCHEMBL23781888 | 0.67 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0805682-B1 | DERMATOLOGICAL USE OF VITAMIN D DERIVATIVES | BASILEA PHARMACEUTICA AG (CH) | 2004-08-11 | — | — | EP | disclosed |
| US-5827883-A | TOPICAL DRUG DELIVERY; SIDE EFFECT REDUCTION | HOFFMANN-LA ROCHE INC. (US) | 1998-10-27 | — | — | US | disclosed |
| EP-0805682-A1 | DERMATOLOGICAL USE OF VITAMIN D DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1997-11-12 | — | — | EP | disclosed |
| WO-1996022776-A1 | DERMATOLOGICAL USE OF VITAMIN D DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1996-08-01 | — | — | WO | disclosed |