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 | |
|---|---|---|---|---|
| SCHEMBL315508 | 0.94 | ALDH1A1 (0.36) | ALDH1A1TP53 | |
| SCHEMBL11314080 | 0.94 | ALDH1A1 (0.36) | ALDH1A1TP53 | |
| Ethyl Chloride SCHEMBL9815406 | 0.92 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL28221575 | 0.87 | — | — | |
| Benzene SCHEMBL11549825 | 0.86 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL12274615 | 0.83 | — | — | |
| SCHEMBL11543536 | 0.81 | — | — | |
| SCHEMBL28067228 | 0.78 | — | — | |
| SCHEMBL10612367 | 0.78 | — | — | |
| SCHEMBL4407922 | 0.77 | CA1 (0.39) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4147653-A | Storable mixtures containing aromatic isocyanatosulphonic acids | BAYER AKTIENGESELLSCHAFT (DE) | 1979-04-03 | — | — | US | disclosed |