⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL301734 | 0.82 | HRH3 (0.30) | — | |
| SCHEMBL321029 | 0.81 | HTR2A (0.32) | — | |
| SCHEMBL302988 | 0.80 | HTR2A (0.32) | — | |
| SCHEMBL302241 | 0.79 | — | — | |
| SCHEMBL301474 | 0.76 | HTR2A (0.37) | — | |
| SCHEMBL303012 | 0.76 | HTR2A (0.33) | — | |
| SCHEMBL301451 | 0.75 | HRH3 (0.34) | — | |
| SCHEMBL21049518 | 0.75 | HRH3 (0.34) | — | |
| SCHEMBL302108 | 0.75 | HRH3 (0.32) | — | |
| SCHEMBL301481 | 0.74 | HRH3 (0.33) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120006229-A1 | AQUEOUS SOLUTION OF PIPERAZINYL-CONTAINING SILANOL COMPOUND AND MAKING METHOD | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2012-01-12 | — | — | US | disclosed |