⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2802301 | 0.85 | — | — | |
| SCHEMBL2802226 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL7928683 | 0.84 | — | — | |
| SCHEMBL15663315 | 0.77 | — | — | |
| SCHEMBL5612748 | 0.76 | — | — | |
| SCHEMBL6469893 | 0.74 | — | — | |
| SCHEMBL3166611 | 0.74 | CYP19A1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL2587277 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL675357 | 0.73 | — | — | |
| SCHEMBL3477346 | 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 |
|---|---|---|---|---|---|---|---|
| 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 |