⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18369009 | 0.78 | TSHR (0.31) | — | |
| SCHEMBL24289382 | 0.76 | ALDH1A1 (0.32) | — | |
| SCHEMBL1553936 | 0.71 | — | — | |
| SCHEMBL1553938 | 0.71 | — | — | |
| SCHEMBL19493528 | 0.69 | — | — | |
| SCHEMBL19493813 | 0.68 | — | — | |
| SCHEMBL27425399 | 0.67 | — | — | |
| Bicarbonate SCHEMBL11123876 | 0.64 | HDAC1 (0.43) | — | |
| SCHEMBL16369051 | 0.63 | — | — | |
| SCHEMBL8447052 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3492451-A2 | PROCESS FOR THE PREPARATION OF HISTAMINE H3 RECEPTOR MODULATORS | Janssen Pharmaceutica NV (BE) | 2019-06-05 | — | — | EP | disclosed |