⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27873380 | 0.75 | KDM4E (0.31) | — | |
| SCHEMBL27856628 | 0.72 | — | — | |
| SCHEMBL16241903 | 0.71 | PSEN1 (0.34) | — | |
| SCHEMBL21603341 | 0.70 | ALDH1A1 (0.37) | — | |
| SCHEMBL27873257 | 0.69 | CYP3A4 (0.31) | — | |
| SCHEMBL27916550 | 0.67 | ERN1 (0.34) | — | |
| SCHEMBL24059348 | 0.67 | CES2 (0.40) | — | |
| SCHEMBL27668337 | 0.67 | CA1 (0.34) | — | |
| SCHEMBL2032766 | 0.66 | ALDH1A1 (0.58) | — | |
| SCHEMBL1033015 | 0.66 | CD44 (0.41) | — |
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-102470132-A | Disubstituted [4-(5-aminomethyl-phenyl)-piperidin-1-yl]-1h-indol-3-yl]-methanones | SANOFI AVENTIS | 2012-05-23 | — | — | CN | disclosed |