⚠ 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 SCHEMBL217343 | 0.77 | SIGMAR1 (0.31) | — | |
| SCHEMBL15189742 | 0.70 | HTR2A (0.36) | — | |
| SCHEMBL8380950 | 0.69 | HTR2A (0.38) | — | |
| SCHEMBL28290857 | 0.69 | HTR2A (0.38) | — | |
| Hydrochloric Acid SCHEMBL10434700 | 0.68 | SIGMAR1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL3381474 | 0.68 | HTR2A (0.34) | — | |
| SCHEMBL7129635 | 0.67 | HTR2A (0.31) | — | |
| Ethylene SCHEMBL4332388 | 0.66 | HTR6 (0.33) | — | |
| Hydrochloric Acid SCHEMBL1655213 | 0.66 | KDM4E (0.31) | — | |
| Hydrochloric Acid SCHEMBL153249 | 0.66 | KDM4E (0.31) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8536286-B2 | Composite catalyst for production of polyethylene | CHINA PETROLEUM & CHEMICAL CORPORATION (CN) | 2013-09-17 | — | — | US | disclosed |
| US-8071687-B2 | Multiple catalyst system for olefin polymerization and polymers produced therefrom | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2011-12-06 | — | — | US | disclosed |
| US-20090069475-A1 | Multiple catalyst system for olefin polymerization and polymers produced therefrom | EXXONMOBIL CHEMICAL PATENTS INC. | 2009-03-12 | — | — | US | disclosed |
| EP-0807143-B1 | THERMOPLASTIC PROPYLENE ELASTOMERS AND ONE POT/TWO CATALYSTS PROCESS TO PRODUCE THEM | EXXON CHEMICAL PATENTS INC (US) | 2000-03-15 | — | — | EP | disclosed |