⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7703025 | 0.69 | HTR3A (0.30) | — | |
| SCHEMBL8757759 | 0.65 | CXCR4 (0.50) | — | |
| SCHEMBL64922 | 0.65 | CXCR4 (0.50) | — | |
| SCHEMBL360262 | 0.61 | DRD3 (0.33) | — | |
| SCHEMBL169698 | 0.61 | — | — | |
| SCHEMBL169700 | 0.61 | — | — | |
| SCHEMBL3804161 | 0.60 | SIGMAR1 (0.30) | — | |
| SCHEMBL2078295 | 0.60 | — | — | |
| SCHEMBL8581174 | 0.59 | CXCR4 (0.40) | — | |
| Hydrochloric Acid SCHEMBL3293047 | 0.59 | SMN1; SMN2 (0.37) | — |
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-1252153-A1 | SUBSTITUTED PIPERIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, AND METHODS FOR THE PRODUCTION THEREOF | Boehringer Ingelheim Pharma KG (DE) | 2002-10-30 | — | — | EP | claimed |
| WO-2001049676-A1 | SUBSTITUTED PIPERIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, AND METHODS FOR THE PRODUCTION THEREOF | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2001-07-12 | — | — | WO | claimed |