⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6465665 | 0.93 | EPHX2 (0.33) | — | |
| SCHEMBL14190758 | 0.85 | HSD11B1 (0.30) | — | |
| SCHEMBL2015150 | 0.78 | MEN1 (0.40) | — | |
| SCHEMBL2015640 | 0.75 | ALDH1A1 (0.39) | — | |
| SCHEMBL1735134 | 0.73 | — | — | |
| SCHEMBL2018311 | 0.72 | MGAM (0.31) | — | |
| SCHEMBL289717 | 0.72 | OPRK1 (0.42) | — | |
| SCHEMBL2014595 | 0.72 | MGAM (0.32) | — | |
| SCHEMBL2852397 | 0.71 | — | — | |
| Bromide SCHEMBL1478373 | 0.70 | OPRK1 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7371705-B2 | Phospha-adamantane(s) catalytic system | LUCITE INTERNATIONAL UK LIMITED (GB) | 2008-05-13 | — | — | US | disclosed |
| US-20060106259-A1 | Phospha-adamantane(s) catalytic system | LUCITE INTERNATIONAL UK LIMITED (GB) | 2006-05-18 | — | — | US | disclosed |