⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9285252 | 0.72 | STAT3 (0.31) | — | |
| SCHEMBL8578128 | 0.67 | MAOA (0.34) | — | |
| SCHEMBL2144811 | 0.66 | — | — | |
| SCHEMBL1407014 | 0.66 | CA1 (0.39) | — | |
| SCHEMBL4559895 | 0.66 | CA1 (0.39) | — | |
| SCHEMBL7430631 | 0.64 | FKBP1A (0.32) | — | |
| SCHEMBL9621403 | 0.64 | FKBP1A (0.32) | — | |
| SCHEMBL11037843 | 0.64 | STAT3 (0.34) | — | |
| SCHEMBL13923804 | 0.64 | STAT3 (0.32) | — | |
| SCHEMBL20660322 | 0.63 | CCR2 (0.36) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0675878-A1 | NOVEL VITAMIN D ANALOGUES. | LEO PHARM PROD LTD (DK) | 1995-10-11 | — | — | EP | disclosed |
| WO-1994014766-A1 | NOVEL VITAMIN D ANALOGUES | Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) | 1994-07-07 | — | — | WO | disclosed |