⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9127732 | 0.98 | — | — | |
| SCHEMBL9166158 | 0.91 | — | — | |
| SCHEMBL8768730 | 0.78 | — | — | |
| SCHEMBL9171155 | 0.78 | — | — | |
| SCHEMBL8057325 | 0.76 | — | — | |
| SCHEMBL384233 | 0.75 | ALDH1A1 (0.38) | — | |
| SCHEMBL20820006 | 0.75 | ALDH1A1 (0.38) | — | |
| SCHEMBL10909906 | 0.75 | — | — | |
| SCHEMBL8999310 | 0.73 | — | — | |
| SCHEMBL8745348 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5401732-A | Autoimmune diseases | LEO PHARMACEUTICAL PRODUCTS LTD. A/S KEMISKE FABRIK PRODUKIONSAKTIESE SKAB (DK) | 1995-03-28 | — | — | US | disclosed |
| EP-0460032-B1 | NOVEL VITAMIN D ANALOGUES | LEO PHARM PROD LTD (DK) | 1994-04-27 | — | — | EP | disclosed |
| EP-0460032-A1 | NOVEL VITAMIN D ANALOGUES. | LEO PHARM PROD LTD (DK) | 1991-12-11 | — | — | EP | disclosed |
| WO-1990009991-A1 | NOVEL VITAMIN D ANALOGUES | Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) | 1990-09-07 | — | — | WO | disclosed |