⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3834863 | 1.00 | — | — | |
| SCHEMBL9975574 | 1.00 | — | — | |
| SCHEMBL941571 | 0.87 | EPHX1 (0.43) | — | |
| SCHEMBL13411706 | 0.82 | HSD17B10 (0.36) | — | |
| SCHEMBL606666 | 0.82 | — | — | |
| SCHEMBL28794840 | 0.80 | — | — | |
| SCHEMBL23672561 | 0.78 | — | — | |
| SCHEMBL6290142 | 0.78 | CYP2D6 (0.36) | — | |
| SCHEMBL16556409 | 0.78 | EPHX1 (0.48) | — | |
| SCHEMBL14559401 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20150352108-A1 | AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON | ALZHEIMER'S INSTITUTE OF AMERICA (US) | 2015-12-10 | — | — | US | disclosed |
| US-7619092-B2 | Piperidine compounds | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2009-11-17 | — | — | US | disclosed |
| US-7619092-B2 | Piperidine compounds | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2009-11-17 | — | — | US | disclosed |