⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL313388 | 0.74 | — | — | |
| SCHEMBL2691144 | 0.72 | — | — | |
| SCHEMBL2310348 | 0.69 | — | — | |
| SCHEMBL14740958 | 0.65 | — | — | |
| SCHEMBL31556619 | 0.64 | — | — | |
| SCHEMBL302005 | 0.64 | — | — | |
| SCHEMBL16448035 | 0.63 | — | — | |
| SCHEMBL548957 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL8122291 | 0.62 | — | — | |
| SCHEMBL28127312 | 0.62 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1747213-B1 | NOVEL 7,7-DISUBSTITUTED DERIVATIVES OF (5H,9H)-6,8-DIOXABENZOCYCLOHEPTENE, PREPARATION METHOD THEREOF AND USE OF SAME IN THE SYNTHESIS OF NON-STEROIDAL VITAMIN D ANALOGUES | GALDERMA RES & DEV (FR) | 2010-05-26 | — | — | EP | disclosed |