SCHEMBL8202899

SCHEMBL8202899

CC1=Cc2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cccc2C1[Ti]1(C2C(C)=Cc3c(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cccc32)CC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.39
HTR7 P34969 2/20 0.39
KDM1A O60341 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
PARP1 P09874 1/20 0.30
PTAFR P25105 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
SCHEMBL8202144 0.80 CHRNB2 (0.34) HTR1AHTR7
SCHEMBL7948081 0.79 HTR1A (0.39) HTR1AHTR7KDM1ARXRARXRB
SCHEMBL8203930 0.78 HTR1A (0.39) HTR1AHTR7KDM1ARXRARXRB
SCHEMBL5837617 0.77 HTR1A (0.38) HTR1AHTR7KDM1ARXRARXRB
SCHEMBL29032467 0.77 HTR1A (0.38) HTR1AHTR7KDM1ARXRARXRB
SCHEMBL8194133 0.77 HTR1A (0.40) HTR1AHTR7RXRARXRB
SCHEMBL8194136 0.75 HTR1A (0.36) HTR1AHTR7KDM1ARXRARXRB
SCHEMBL8206244 0.75 HTR1A (0.36) HTR1AHTR7KDM1ARXRARXRB
SCHEMBL8206812 0.75 HTR1A (0.36) HTR1AHTR7KDM1ARXRARXRB
SCHEMBL8204142 0.74 HTR1A (0.38) HTR1AHTR7RXRARXRBPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6136993-A CONTACTING IN GROUP 4 METAL COMPLEX OR ITS LEWIS BASE ADDUCT WITH METAL COMPLEX, RECOVERING RESULTING PRODUCT THE DOW CHEMICAL COMPANY (US) 2000-10-24 US claimed
US-6136993-A CONTACTING IN GROUP 4 METAL COMPLEX OR ITS LEWIS BASE ADDUCT WITH METAL COMPLEX, RECOVERING RESULTING PRODUCT THE DOW CHEMICAL COMPANY (US) 2000-10-24 US disclosed
US-6084115-A METAL DIENE-CONTAINING COMPLEXES BY REACTION WITH THE DIVALENT DERIVATIVE OF A BRIDGED BIDENTATE LIGAND; METALLOCENES; RACEMIC ISOMER USED TO PREPARE ISOTACTIC POLYOLEFINS, E.G., CRYSTALLINE POLYPROPYLENE. THE DOW CHEMICAL COMPANY (US) 2000-07-04 US disclosed