⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24079843 | 0.80 | MEN1 (0.33) | — | |
| SCHEMBL20870848 | 0.74 | DRD2 (0.33) | — | |
| SCHEMBL20871808 | 0.72 | — | — | |
| SCHEMBL18602764 | 0.68 | ADH1C (0.35) | — | |
| SCHEMBL11638870 | 0.66 | SLC6A2 (0.30) | — | |
| SCHEMBL20321696 | 0.65 | SLC6A2 (0.35) | — | |
| SCHEMBL20321803 | 0.65 | SLC6A2 (0.35) | — | |
| SCHEMBL13082953 | 0.65 | ADH1A (0.42) | — | |
| SCHEMBL2945094 | 0.64 | — | — | |
| SCHEMBL25590870 | 0.64 | HRH4 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019063952-A1 | NEW METHOD FOR THE SYNTHESIS OF UNSYMMETRICAL TERTIARY AMINES | UNIVERSITE PARIS-SUD (FR) | 2019-04-04 | — | — | WO | disclosed |