⚠ 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 SCHEMBL5083721 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL716381 | 0.86 | RXRA (0.35) | — | |
| SCHEMBL5553269 | 0.80 | CYP3A4 (0.34) | — | |
| Hydrochloric Acid SCHEMBL715519 | 0.79 | CYP3A4 (0.33) | — | |
| Hydrochloric Acid SCHEMBL721837 | 0.79 | HTT (0.31) | — | |
| Hydrochloric Acid SCHEMBL8762978 | 0.77 | CA4 (0.32) | — | |
| Hydrochloric Acid SCHEMBL7124722 | 0.77 | CA4 (0.32) | — | |
| SCHEMBL819170 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL7611679 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL2009834 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011074688-A1 | PRODUCTION PROCESS OF OLEFIN POLYMERIZATION CATALYST AND OLEFIN POLYMER | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2011-06-23 | — | — | WO | disclosed |
| EP-1498178-B1 | Transition metal complex and process for producing the same | SUMITOMO CHEMICAL CO (JP) | 2008-06-11 | — | — | EP | disclosed |