SCHEMBL5086569

SCHEMBL5086569

CCCCC1=C(CCCC)C([Zr]C2=CCC(C)=C2C)=CC1

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL16223870 0.90
SCHEMBL28256388 0.83
SCHEMBL16223667 0.83 BCHE (0.33)
SCHEMBL16223604 0.76
SCHEMBL5597325 0.75
SCHEMBL16223581 0.74
Hydrochloric Acid SCHEMBL2357636 0.73
Hydrochloric Acid SCHEMBL2356553 0.73
SCHEMBL16223750 0.72
SCHEMBL6913287 0.72 ALOX5 (0.32)

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910432-B1 PROCESS TO PRODUCE LOW VISCOSITY POLY-ALPHA-OLEFINS EXXONMOBIL CHEM PATENTS INC (US) 2014-11-12 EP claimed
EP-1910432-B1 PROCESS TO PRODUCE LOW VISCOSITY POLY-ALPHA-OLEFINS EXXONMOBIL CHEM PATENTS INC (US) 2014-11-12 EP disclosed
EP-1910432-A1 PROCESS TO PRODUCE LOW VISCOSITY POLY-ALPHA-OLEFINS ExxonMobil Chemical Patents Inc. (US) 2008-04-16 EP disclosed
WO-2007011973-A1 PROCESS TO PRODUCE LOW VISCOSITY POLY-ALPHA-OLEFINS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-01-25 WO disclosed