⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8745339 | 0.83 | — | — | |
| SCHEMBL8019673 | 0.73 | — | — | |
| Bromide SCHEMBL10648209 | 0.72 | — | — | |
| SCHEMBL8626926 | 0.69 | ACHE (0.30) | — | |
| SCHEMBL7194592 | 0.69 | ACHE (0.30) | — | |
| SCHEMBL11073022 | 0.69 | ACHE (0.30) | — | |
| SCHEMBL30542158 | 0.69 | ACHE (0.30) | — | |
| SCHEMBL11074352 | 0.69 | ACHE (0.30) | — | |
| SCHEMBL22841333 | 0.69 | ACHE (0.30) | — | |
| SCHEMBL3914836 | 0.69 | — | — |
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-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 |