⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL821630 | 0.84 | — | — | |
| SCHEMBL5006794 | 0.77 | ALDH1A1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL821631 | 0.75 | — | — | |
| SCHEMBL8361232 | 0.74 | — | — | |
| SCHEMBL4277439 | 0.73 | — | — | |
| SCHEMBL5009051 | 0.72 | NPC1 (0.30) | — | |
| SCHEMBL153452 | 0.69 | — | — | |
| SCHEMBL4272719 | 0.69 | — | — | |
| SCHEMBL8359879 | 0.68 | — | — | |
| SCHEMBL5397368 | 0.68 | MAPT (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-7446216-B2 | Halogen substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2008-11-04 | — | — | US | disclosed |
| EP-1833858-A2 | HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | Exxonmobil Chemical Patents Inc. (US) | 2007-09-19 | — | — | EP | disclosed |
| US-20060183874-A1 | Halogen substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. | 2006-08-17 | — | — | US | disclosed |
| WO-2006065906-A2 | HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2006-06-22 | — | — | WO | disclosed |