⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2235304 | 0.87 | — | — | |
| SCHEMBL17096815 | 0.87 | PTGS1 (0.36) | — | |
| SCHEMBL2234872 | 0.86 | SLC9A1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL17096874 | 0.86 | PTGS1 (0.36) | — | |
| SCHEMBL15810075 | 0.85 | PTGS1 (0.35) | — | |
| SCHEMBL2236265 | 0.83 | IKBKB (0.31) | — | |
| SCHEMBL2384976 | 0.82 | KIF11 (0.33) | — | |
| SCHEMBL2236392 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL17096548 | 0.80 | — | — | |
| SCHEMBL2233443 | 0.80 | — | — |
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-2360163-A1 | METALLOCENE COMPLEX AND METHOD FOR POLYMERIZING OLEFIN | Japan Polypropylene Corporation (JP) | 2011-08-24 | — | — | EP | disclosed |