⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6472233 | 0.91 | CNR2 (0.31) | — | |
| SCHEMBL5614323 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL7925973 | 0.90 | — | — | |
| SCHEMBL2803671 | 0.90 | — | — | |
| SCHEMBL6471365 | 0.88 | — | — | |
| SCHEMBL6471958 | 0.82 | — | — | |
| SCHEMBL2803350 | 0.80 | — | — | |
| SCHEMBL5009396 | 0.80 | — | — | |
| SCHEMBL4391239 | 0.80 | — | — | |
| SCHEMBL5614277 | 0.77 | CYP19A1 (0.32) | — |
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-6939928-B1 | Metallocene compound, process for producing metallocene compound, olefin polymerization catalyst, process for producing polyolefin, and polyolefin | MITSUI CHEMICALS, INC. (JP) | 2005-09-06 | — | — | US | disclosed |
| EP-1138687-A1 | METALLOCENE COMPOUND, PROCESS FOR PRODUCING METALLOCENE COMPOUND, OLEFIN POLYMERIZATION CATALYST, PROCESS FOR PRODUCING POLYOLEFIN, AND POLYOLEFIN | Mitsui Chemicals, Inc. (JP) | 2001-10-04 | — | — | EP | disclosed |