⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3137281 | 0.80 | — | — | |
| SCHEMBL15402694 | 0.77 | TSHR (0.30) | — | |
| SCHEMBL8762310 | 0.75 | MAPT (0.34) | — | |
| SCHEMBL15677570 | 0.73 | — | — | |
| SCHEMBL18725130 | 0.71 | — | — | |
| SCHEMBL946164 | 0.70 | — | — | |
| SCHEMBL636718 | 0.69 | — | — | |
| SCHEMBL14616099 | 0.69 | — | — | |
| SCHEMBL11507676 | 0.69 | NR1H2 (0.31) | — | |
| SCHEMBL9316708 | 0.69 | MAPT (0.32) | — |
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-0662953-B1 | NOVEL VITAMIN D ANALOGUES | LEO PHARM PROD LTD (DK) | 1997-06-18 | — | — | EP | disclosed |
| US-5612325-A | ANTIINFLAMMATORY AND IMMUNOMODULATING EFFECTS | Leo Pharmaceutical Products Ltd. A/S (L.o slashed.vens Kemiske Fabrik Produktionsaktieselskab) (DK) | 1997-03-18 | — | — | US | disclosed |
| EP-0662953-A1 | NOVEL VITAMIN D ANALOGUES. | LEO PHARM PROD LTD (DK) | 1995-07-19 | — | — | EP | disclosed |
| WO-1994007851-A1 | NOVEL VITAMIN D ANALOGUES | Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) | 1994-04-14 | — | — | WO | disclosed |