⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27682112 | 0.85 | SCN9A (0.31) | — | |
| SCHEMBL27701201 | 0.81 | HTR1D (0.35) | — | |
| SCHEMBL27682141 | 0.78 | HDAC1 (0.34) | — | |
| SCHEMBL21999828 | 0.77 | ALDH1A1 (0.34) | — | |
| SCHEMBL27682115 | 0.75 | CRBN (0.30) | — | |
| SCHEMBL3989140 | 0.75 | RBP4 (0.37) | — | |
| SCHEMBL3990819 | 0.70 | MAPT (0.54) | — | |
| SCHEMBL24304537 | 0.70 | HTR1D (0.42) | — | |
| SCHEMBL30977427 | 0.69 | ALDH1A1 (0.34) | — | |
| SCHEMBL27701228 | 0.68 | HTR1D (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 |
|---|---|---|---|---|---|---|---|
| CN-101035534-A | Amino substituted aryloxybenzylpiperidine derivatives | LUNDBECK & CO AS H (DK) | 2007-09-12 | — | — | CN | disclosed |