⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5792114 | 0.80 | — | — | |
| SCHEMBL10530596 | 0.78 | CYP2D6 (0.33) | — | |
| SCHEMBL903031 | 0.78 | — | — | |
| SCHEMBL22931708 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL12939267 | 0.78 | — | — | |
| SCHEMBL10031693 | 0.78 | — | — | |
| SCHEMBL20077521 | 0.76 | — | — | |
| SCHEMBL10060803 | 0.74 | — | — | |
| SCHEMBL7561541 | 0.74 | ALDH1A1 (0.42) | — | |
| SCHEMBL13855843 | 0.74 | OPRM1 (0.33) | — |
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-3717448-A1 | PROCESS FOR THE CONTINUOUS PREPARATION OF 1,2-PROPYLENE DIAMINE (1,2-PDA) AND DIMETHYLDIETHYLENE TRIAMINE (DMDETA) | BASF SE (DE) | 2020-10-07 | — | — | EP | disclosed |