⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26028906 | 0.77 | HTR1A (0.35) | — | |
| SCHEMBL14520978 | 0.68 | HTR1A (0.33) | — | |
| SCHEMBL12588447 | 0.65 | P2RX7 (0.40) | — | |
| SCHEMBL3407927 | 0.64 | HTR1A (0.33) | — | |
| SCHEMBL30874715 | 0.62 | HTR1A (0.34) | — | |
| SCHEMBL30447652 | 0.62 | CYP2A6 (0.33) | — | |
| SCHEMBL27789270 | 0.62 | CYP2A6 (0.33) | — | |
| SCHEMBL8996720 | 0.62 | CYP2A6 (0.33) | — | |
| SCHEMBL153944 | 0.62 | ALDH1A1 (0.37) | — | |
| SCHEMBL1614924 | 0.60 | ALOX15 (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-2427431-B1 | NOVEL INDICATOR PLATFORM | BIOSYNTH AG (CH) | 2013-05-01 | — | — | EP | disclosed |
| EP-2256103-A1 | Novel indicator platform | Biosynth AG (CH) | 2010-12-01 | — | — | EP | disclosed |