⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6285721 | 1.00 | — | — | |
| (Z)-1,2-Diphenylethene SCHEMBL6286953 | 0.82 | ALDH1A1 (0.47) | — | |
| (Z)-1,2-Diphenylethene SCHEMBL6286940 | 0.82 | ALDH1A1 (0.47) | — | |
| SCHEMBL29769700 | 0.78 | — | — | |
| SCHEMBL886 | 0.69 | — | — | |
| Cinnamic Acid SCHEMBL660182 | 0.69 | HDAC1 (0.50) | — | |
| Cinnamic Acid SCHEMBL30415079 | 0.67 | HCAR2 (0.60) | — | |
| SCHEMBL31649809 | 0.67 | ALDH1A1 (0.60) | — | |
| Benzene SCHEMBL1225180 | 0.65 | MAOB (0.58) | — | |
| SCHEMBL2342 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6867161-B1 | Titanium catalyst and organotitanium reacting reagent, production thereof, and reaction thereby | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2005-03-15 | — | — | US | disclosed |
| EP-0820809-A1 | TITANIUM CATALYST, ORGANOTITANIUM REACTION REAGENT, PROCESSES FOR PRODUCING THESE, AND METHOD OF REACTION USING THESE | NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) | 1998-01-28 | — | — | EP | disclosed |