⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4952832 | 1.00 | — | — | |
| SCHEMBL1425903 | 0.78 | — | — | |
| SCHEMBL11800502 | 0.78 | — | — | |
| SCHEMBL7641265 | 0.78 | — | — | |
| SCHEMBL7331162 | 0.78 | — | — | |
| SCHEMBL22282670 | 0.78 | — | — | |
| SCHEMBL752055 | 0.78 | — | — | |
| SCHEMBL4881136 | 0.78 | — | — | |
| SCHEMBL8962234 | 0.75 | — | — | |
| SCHEMBL10554992 | 0.73 | ALDH1A1 (0.32) | — |
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-0277376-A1 | Aromatic amide groups-containing diamines and polymers in which these diamines are incorporated | AKZO N.V. (NL) | 1988-08-10 | — | — | EP | disclosed |