⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29551383 | 1.00 | — | — | |
| SCHEMBL29551831 | 0.79 | OPRD1 (0.33) | — | |
| SCHEMBL29551696 | 0.77 | OPRD1 (0.34) | — | |
| SCHEMBL29551718 | 0.74 | ALDH1A1 (0.43) | — | |
| SCHEMBL29551295 | 0.72 | ALDH1A1 (0.41) | — | |
| SCHEMBL29551754 | 0.71 | MEN1 (0.35) | — | |
| SCHEMBL3234662 | 0.69 | POLB (0.34) | — | |
| SCHEMBL3232288 | 0.66 | POLB (0.32) | — | |
| SCHEMBL29551279 | 0.63 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL29551652 | 0.63 | SMN1; SMN2 (0.34) | — |
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-11339174-B2 | γ-spiroketal-γ-lactones and pharmaceutical composition containing same and process for preparation thereof | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2022-05-24 | — | — | US | disclosed |
| US-20210198273-A1 | GAMMA-SPIROKETAL-GAMMA-LACTONES AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AND PROCESS FOR PREPARATION THEREOF | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2021-07-01 | — | — | US | disclosed |