⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3676050 | 0.71 | MEN1 (0.39) | — | |
| SCHEMBL7118882 | 0.65 | PSMB5 (0.38) | — | |
| SCHEMBL24890395 | 0.64 | MEN1 (0.43) | — | |
| SCHEMBL7215435 | 0.64 | L3MBTL1 (0.39) | — | |
| SCHEMBL7199055 | 0.64 | GABRA1 (0.47) | — | |
| SCHEMBL13803983 | 0.64 | CSNK2A1 (0.40) | — | |
| SCHEMBL4168000 | 0.63 | DHFR (0.33) | — | |
| SCHEMBL9797891 | 0.63 | MEN1 (0.33) | — | |
| SCHEMBL7738401 | 0.61 | ALDH1A1 (0.38) | — | |
| SCHEMBL16414548 | 0.60 | PARP1 (0.38) | — |
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-20090163535-A1 | Substituted Heteroarylalkanoic Acids | THE INSTITUES FOR PHARMACEUTICAL DISCOVERY, INC. (US) | 2009-06-25 | — | — | US | disclosed |