⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13627877 | 0.86 | EPHX1 (0.55) | — | |
| SCHEMBL3913020 | 0.81 | TSHR (0.56) | — | |
| SCHEMBL17379927 | 0.80 | ALDH1A1 (0.54) | — | |
| SCHEMBL3190326 | 0.79 | EPHX1 (0.61) | — | |
| SCHEMBL29171678 | 0.79 | ALDH1A1 (0.52) | — | |
| SCHEMBL5213536 | 0.79 | TDP1 (0.55) | — | |
| SCHEMBL8642326 | 0.77 | EPHX1 (0.45) | — | |
| SCHEMBL9402108 | 0.76 | TSHR (0.45) | — | |
| SCHEMBL15145438 | 0.76 | EPHX1 (0.44) | — | |
| SCHEMBL423954 | 0.75 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023178299-A1 | PRODRUGS OF GANAXOLONE | MARINUS PHARMACEUTICALS, INC. (US) | 2023-09-21 | — | — | WO | disclosed |
| US-7619092-B2 | Piperidine compounds | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2009-11-17 | — | — | US | disclosed |
| US-20090198052-A1 | METHOD FOR PREPARING OPTICALLY ACTIVE PIPERIDINE COMPOUNDS | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2009-08-06 | — | — | US | disclosed |