SCHEMBL8204142

SCHEMBL8204142

CC[Ti](C1C(C)=Cc2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cccc21)C1C(C)=Cc2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cccc21

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.38
HTR7 P34969 2/20 0.38
PARP1 P09874 1/20 0.32
RXRA P19793 2/20 0.32
RXRB P28702 2/20 0.32
RXRG P48443 1/20 0.32
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
TACR1 P25103 1/20 0.30
P2RX1 P51575 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
SCHEMBL8206809 0.83 HTR1A (0.36) HTR1AHTR7RXRARXRB
SCHEMBL8203380 0.80 PDCD1 (0.35) HTR1AHTR7
SCHEMBL8194273 0.78 HTR1A (0.36) HTR1AHTR7RXRARXRBRXRG
SCHEMBL6449058 0.77 HTR1A (0.35) HTR1AHTR7RXRARXRB
SCHEMBL8206244 0.77 HTR1A (0.36) HTR1AHTR7RXRARXRB
SCHEMBL29032467 0.76 HTR1A (0.38) HTR1AHTR7RXRARXRBRXRG
SCHEMBL5837617 0.76 HTR1A (0.38) HTR1AHTR7RXRARXRBRXRG
SCHEMBL8194133 0.76 HTR1A (0.40) HTR1AHTR7RXRARXRB
SCHEMBL7948081 0.75 HTR1A (0.39) HTR1AHTR7PARP1RXRARXRB
Hydrochloric Acid SCHEMBL8459042 0.75 HTR1A (0.37) HTR1AHTR7RXRARXRB

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-1062219-A1 INTEGRATED PROCESS FOR PREPARATION OF DIENE COMPLEXES THE DOW CHEMICAL COMPANY (US) 2000-12-27 EP claimed
WO-1999046270-A1 INTEGRATED PROCESS FOR PREPARATION OF DIENE COMPLEXES THE DOW CHEMICAL COMPANY (US) 1999-09-16 WO claimed
EP-1062219-A1 INTEGRATED PROCESS FOR PREPARATION OF DIENE COMPLEXES THE DOW CHEMICAL COMPANY (US) 2000-12-27 EP disclosed
WO-1999046270-A1 INTEGRATED PROCESS FOR PREPARATION OF DIENE COMPLEXES THE DOW CHEMICAL COMPANY (US) 1999-09-16 WO disclosed