⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4732875 | 0.91 | ALDH1A1 (0.33) | — | |
| SCHEMBL4732868 | 0.91 | ALDH1A1 (0.33) | — | |
| SCHEMBL4732014 | 0.81 | ALDH1A1 (0.38) | — | |
| SCHEMBL4732020 | 0.81 | ALDH1A1 (0.38) | — | |
| SCHEMBL3516780 | 0.76 | — | — | |
| SCHEMBL3516784 | 0.76 | — | — | |
| SCHEMBL4729715 | 0.74 | ALDH1A1 (0.36) | — | |
| SCHEMBL3244757 | 0.74 | ALDH1A1 (0.36) | — | |
| SCHEMBL5005111 | 0.73 | ALDH1A1 (0.30) | — | |
| SCHEMBL5005109 | 0.73 | ALDH1A1 (0.30) | — |
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-6093781-A | STYRENIC MONOMER COPOLYMERIZED WITH NEW CLASS OF INITIATORS THAT CONTAIN BOTH A COPOLYMERIZABLE DOUBLE BOND AND AN ORGANIC PEROXIDE MOIETY; HIGH SPEED THERMOFORMING | THE DOW CHEMICAL COMPANY (US) | 2000-07-25 | — | — | US | disclosed |
| EP-0785957-B1 | NON-LINEAR STYRENIC POLYMER COMPOSITIONS AND ARTICLES PREPARED THEREFROM | DOW CHEMICAL CO (US) | 1998-05-20 | — | — | EP | disclosed |