SCHEMBL27416802

SCHEMBL27416802

CC1=C(C)C(C)(C)C([Ti]C(c2ccccc2)(c2ccccc2)c2ccccc2)=C1C

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
CYP3A4 P08684 1/20 0.30
MAPK1 P28482 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
Biphenyl SCHEMBL821668 0.72 ALDH1A1 (0.36) ALDH1A1
SCHEMBL6256214 0.68 ALDH1A1 (0.33) ALDH1A1TSHRCYP3A4MAPK1
SCHEMBL863862 0.68 MAOA (0.35) ALDH1A1
Hydrochloric Acid SCHEMBL4472809 0.67
Chloromethane SCHEMBL7611586 0.65 CTSD (0.31)
SCHEMBL3828788 0.65 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL2381967 0.64 CTSD (0.33)
Hydrochloric Acid SCHEMBL924335 0.64 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL5616489 0.63 CD44 (0.30)
Bromide SCHEMBL863747 0.62 CTSD (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1113900-C Mixed transition metal catalyst system for olefin polymerization and process for polymerizing ethylenically unsaturated monomers using the same EXXON MOBIL CHEM PATENTS INC (US) 2003-07-09 CN disclosed
CN-1226257-A Mixed transition metal catalyst systems for olefin polymerization EXXON CHEMICAL PATENTS INC (US) 1999-08-18 CN disclosed