SCHEMBL12816687

SCHEMBL12816687

CC(C)(C)c1cccc(Cc2[c]cccc2)c1C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.32
▸ KIF11 P52732 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL12816129 0.87 ALDH1A1 (0.35) CA2KIF11ALDH1A1TSHRTDP1
SCHEMBL11573824 0.79 CA2 (0.44) CA2KIF11ALDH1A1TSHRTDP1
SCHEMBL12816467 0.78 CA2 (0.32) CA2
SCHEMBL3241722 0.73 IDO1 (0.44) ALDH1A1TDP1
SCHEMBL4599279 0.71 GABRA1 (0.57) TSHR
SCHEMBL3237939 0.71 TAAR1 (0.41) ALDH1A1TSHR
SCHEMBL16516588 0.71 KIF11 (0.35) CA2KIF11ALDH1A1
SCHEMBL7768291 0.70 ESR1 (0.36) TSHR
SCHEMBL30749472 0.70 GABRA1 (0.48) CA2KIF11ALDH1A1TSHRTDP1
SCHEMBL27769429 0.70 GABRA1 (0.48) CA2KIF11ALDH1A1TSHRTDP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8937195-B2 Method for producing the transition metal complex, catalyst for trimerization, method for producing 1-hexene, method for producing the substituted cyclopentadiene compound (1) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-20 — — US disclosed
EP-2691406-A1 METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (1) Sumitomo Chemical Company, Limited (JP) 2014-02-05 — — EP disclosed
US-20140018564-A1 METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (1) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-16 — — US disclosed
WO-2012133924-A1 METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (1) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 — — WO disclosed
WO-2012133935-A1 METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (3) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 — — WO disclosed
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