Predicted protein targets (top 2)
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
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 | |
|---|---|---|---|---|
| SCHEMBL28134163 | 0.83 | — | — | |
| SCHEMBL1463703 | 0.79 | ALDH1A1 (0.31) | ALDH1A1TDP1 | |
| SCHEMBL28855146 | 0.79 | — | — | |
| SCHEMBL10704564 | 0.78 | ALDH1A1 (0.34) | ALDH1A1TDP1 | |
| SCHEMBL23022422 | 0.73 | ALDH1A1 (0.31) | ALDH1A1TDP1 | |
| SCHEMBL23022414 | 0.73 | ALDH1A1 (0.31) | ALDH1A1TDP1 | |
| SCHEMBL28426858 | 0.72 | — | — | |
| SCHEMBL17063465 | 0.71 | — | — | |
| SCHEMBL9099673 | 0.71 | — | — | |
| Bromide SCHEMBL7611270 | 0.70 | THRB (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1179526-A2 | Cyanoethylation of cycloaliphatic vicinal primary diamines | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2002-02-13 | — | — | EP | disclosed |
| US-6245932-B1 | REACTING ACRYLONITRILE AND A DIAMINE IN THE PRESENCE OF WATER AS A CATALYST | AIR PRODUCTS AND CHEMICALS, INC. | 2001-06-12 | — | — | US | disclosed |