⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19908755 | 0.69 | SIGMAR1 (0.37) | — | |
| SCHEMBL19908521 | 0.68 | HRH1 (0.37) | — | |
| SCHEMBL8426290 | 0.68 | CD44 (0.32) | — | |
| SCHEMBL30344377 | 0.67 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL13588592 | 0.67 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL19908723 | 0.66 | — | — | |
| SCHEMBL15889072 | 0.66 | CCR1 (0.31) | — | |
| SCHEMBL9054362 | 0.64 | HTR1D (0.33) | — | |
| SCHEMBL18054862 | 0.63 | — | — | |
| SCHEMBL20671715 | 0.63 | HTR5A (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 |
|---|---|---|---|---|---|---|---|
| EP-3287441-B1 | ACYLATED 4-AMINOPIPERIDINES AS INHIBITORS OF SERINE PALMITOYLTRANSFERASE | TAKEDA PHARMACEUTICALS CO (JP) | 2021-06-09 | — | — | EP | disclosed |
| EP-3287441-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2018-02-28 | — | — | EP | disclosed |