⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6227271 | 0.76 | — | — | |
| SCHEMBL6344358 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL2481792 | 0.74 | — | — | |
| SCHEMBL541055 | 0.74 | NPC1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL2867073 | 0.74 | — | — | |
| SCHEMBL6047495 | 0.73 | — | — | |
| Ethane SCHEMBL27413223 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL4469434 | 0.72 | — | — | |
| SCHEMBL9230177 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL4465150 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1167394-A1 | CATALYST FOR OLEFIN/STYRENE COPOLYMERIZATION AND PROCESS FOR PRODUCING OLEFIN/STYRENE COPOLYMER | IDEMITSU PETROCHEMICAL CO., LTD. (JP) | 2002-01-02 | — | — | EP | disclosed |