⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1822642 | 0.77 | ALDH1A1 (0.30) | — | |
| SCHEMBL2537070 | 0.66 | — | — | |
| SCHEMBL5485162 | 0.63 | — | — | |
| SCHEMBL148731 | 0.62 | DAO (0.33) | — | |
| SCHEMBL23906944 | 0.61 | TAAR1 (0.38) | — | |
| SCHEMBL17082 | 0.61 | — | — | |
| SCHEMBL599315 | 0.60 | — | — | |
| Toluene SCHEMBL28145641 | 0.60 | TSHR (0.44) | — | |
| SCHEMBL6050879 | 0.59 | — | — | |
| SCHEMBL115208 | 0.59 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1963251-A2 | PROCESS FOR THE PREPARATION OF AMINES | Syngeta Participations AG (CH) | 2008-09-03 | — | — | EP | disclosed |
| WO-2007068417-A2 | PROCESS FOR THE PREPARATION OF AMINES | SYNGENTA PARTICIPATIONS AG (CH) | 2007-06-21 | — | — | WO | disclosed |