⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6908346 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL7510367 | 0.75 | GPR3 (0.36) | — | |
| SCHEMBL6909662 | 0.75 | GPR3 (0.31) | — | |
| SCHEMBL540904 | 0.74 | GPR3 (0.35) | — | |
| SCHEMBL6909960 | 0.73 | LMNA (0.31) | — | |
| Hydrochloric Acid SCHEMBL6858048 | 0.73 | GPR3 (0.34) | — | |
| Hydrochloric Acid SCHEMBL995806 | 0.73 | GPR3 (0.34) | — | |
| Hydrochloric Acid SCHEMBL6862745 | 0.73 | GPR3 (0.34) | — | |
| SCHEMBL28790426 | 0.71 | GPR3 (0.33) | — | |
| SCHEMBL6907614 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0923589-B1 | 3-HETEROATOM SUBSTITUTED CYCLOPENTADIENYL-CONTAINING METAL COMPLEXES AND OLEFIN POLYMERIZATION PROCESS | DOW GLOBAL TECHNOLOGIES INC (US) | 2004-09-15 | — | — | EP | disclosed |
| US-6268444-B1 | TITANIUM, ZIRCONIUM OR HAFNIUM COMPOUNDS FOR POLYMERIZATION | DOW CHEMICAL COMPANY | 2001-07-31 | — | — | US | disclosed |