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 | |
|---|---|---|---|---|
| SCHEMBL26802924 | 0.83 | ALDH1A1 (0.47) | ALDH1A1CYP3A4 | |
| SCHEMBL10507016 | 0.79 | ALDH1A1 (0.37) | ALDH1A1 | |
| SCHEMBL31347765 | 0.78 | ALDH1A1 (0.38) | ALDH1A1 | |
| SCHEMBL1130174 | 0.78 | ALDH1A1 (0.39) | ALDH1A1 | |
| SCHEMBL10606453 | 0.78 | ALDH1A1 (0.35) | ALDH1A1CYP3A4 | |
| SCHEMBL23743495 | 0.78 | ALDH1A1 (0.54) | ALDH1A1CYP3A4 | |
| SCHEMBL5903114 | 0.78 | ALDH1A1 (0.54) | ALDH1A1CYP3A4 | |
| SCHEMBL6318341 | 0.78 | ALDH1A1 (0.54) | ALDH1A1CYP3A4 | |
| SCHEMBL8733246 | 0.78 | ALDH1A1 (0.54) | ALDH1A1CYP3A4 | |
| SCHEMBL10507329 | 0.78 | ALDH1A1 (0.54) | ALDH1A1CYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4879409-A | CYCLOHEXYLMETHANE DIISOCYANATES | BAYER AKTIENGESELLSCHAFT (DE) | 1989-11-07 | — | — | US | disclosed |
| EP-0104531-B1 | CYCLOALIPHATIC DIISOCYANATES, POSSIBLY IN THE FORM OF A MIXTURE OF ISOMERS, METHOD FOR THEIR PREPARATION AND THEIR USE AS STARTING PRODUCTS IN THE PREPARATION OF SYNTHETIC PRODUCTS OF THE POLYURETHANE TYPE | BAYER AG (DE) | 1985-11-21 | — | — | EP | disclosed |
| EP-0104531-A1 | Cycloaliphatic diisocyanates, possibly in the form of a mixture of isomers, method for their preparation and their use as starting products in the preparation of synthetic products of the polyurethane type | BAYER AG (DE) | 1984-04-04 | — | — | EP | disclosed |