⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7523005 | 0.67 | — | — | |
| SCHEMBL12640263 | 0.66 | ALDH1A1 (0.32) | — | |
| SCHEMBL7522506 | 0.65 | LMNA (0.38) | — | |
| SCHEMBL19346602 | 0.65 | ALDH1A1 (0.32) | — | |
| SCHEMBL13273462 | 0.64 | LMNA (0.37) | — | |
| SCHEMBL12170621 | 0.62 | — | — | |
| SCHEMBL1155767 | 0.61 | — | — | |
| SCHEMBL25434861 | 0.60 | — | — | |
| SCHEMBL7767432 | 0.58 | CDK2 (0.45) | — | |
| SCHEMBL9466064 | 0.58 | ALDH1A1 (0.32) | — |
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-2568287-A2 | Modulation of chemosensory receptors and ligands associated | Senomyx, Inc. (US) | 2013-03-13 | — | — | EP | disclosed |