⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11100092 | 1.00 | — | — | |
| SCHEMBL245584 | 0.69 | — | — | |
| SCHEMBL24190367 | 0.69 | — | — | |
| SCHEMBL24831577 | 0.67 | — | — | |
| SCHEMBL24862264 | 0.61 | — | — | |
| SCHEMBL376062 | 0.51 | — | — | |
| SCHEMBL1224717 | 0.45 | — | — | |
| SCHEMBL31667872 | 0.41 | — | — | |
| Adamantane SCHEMBL8848421 | 0.38 | CYP2C9 (0.43) | — | |
| SCHEMBL9383231 | 0.38 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023168827-A1 | SYNTHESIS METHOD FOR PAXLOVID INTERMEDIATE | 杭州国瑞生物科技有限公司 | 2023-09-14 | — | — | WO | disclosed |
| US-20110092716-A1 | DEHYDROHALOGENATION PROCESS FOR THE PREPARATION OF INTERMEDIATES USEFUL IN PROVIDING 6,6-DIMETHYL-3-AZABICYCLO-[3.1.0]- HEXANE COMPOUNDS | KWOK DAW-LONG | 2011-04-21 | — | — | US | disclosed |