⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1237133 | 0.76 | — | — | |
| SCHEMBL16653420 | 0.74 | — | — | |
| SCHEMBL5063677 | 0.73 | — | — | |
| SCHEMBL16653593 | 0.73 | — | — | |
| SCHEMBL16653564 | 0.72 | — | — | |
| SCHEMBL5157072 | 0.72 | — | — | |
| SCHEMBL5059915 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL2865862 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL1237384 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL2870366 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1900715-B1 | FLUORENE DERIVATIVE, TRANSITION METAL COMPOUND, CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER | MITSUI CHEMICALS INC (JP) | 2015-04-22 | — | — | EP | disclosed |