⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7048682 | 0.83 | — | — | |
| SCHEMBL10317692 | 0.71 | ATM (0.31) | — | |
| Hydrochloric Acid SCHEMBL10320178 | 0.66 | — | — | |
| SCHEMBL28689283 | 0.63 | TSHR (0.36) | — | |
| Benzene SCHEMBL27873242 | 0.62 | ALDH1A1 (0.40) | — | |
| SCHEMBL38902 | 0.62 | ALDH1A1 (0.40) | — | |
| SCHEMBL28130609 | 0.61 | TSHR (0.37) | — | |
| SCHEMBL10319783 | 0.60 | ESR1 (0.38) | — | |
| SCHEMBL7055431 | 0.60 | — | — | |
| SCHEMBL9319104 | 0.60 | ESR1 (0.30) | — |
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-0985674-B1 | ORGANIC COMPOUNDS CONTAINING SILICON OR GERMANIUM, TRANSITION METAL COMPLEXES, CATALYST FOR ALPHA-OLEFIN POLYMERIZATION, AND PROCESSES FOR PRODUCING ALPHA-OLEFIN POLYMERS | MITSUBISHI CHEM CORP (JP) | 2003-04-23 | — | — | EP | disclosed |