⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5604220 | 0.88 | NPC1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL4461281 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL4974108 | 0.77 | — | — | |
| Butane SCHEMBL7113243 | 0.76 | — | — | |
| SCHEMBL2880912 | 0.72 | — | — | |
| SCHEMBL2234756 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL6677364 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL3924688 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL5080924 | 0.71 | — | — | |
| SCHEMBL5083122 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0889911-B1 | METALLOCENE COCATALYST | DOW CHEMICAL CO (US) | 2000-11-02 | — | — | EP | claimed |
| EP-0733652-A1 | NOVEL OLEFIN POLYMERIZATION CATALYST AND PROCESS FOR POLYMERIZING OLEFIN BY USING THE SAME | Asahi Kasei Kogyo Kabushiki Kaisha (JP) | 1996-09-25 | — | — | EP | disclosed |