SCHEMBL5368513

SCHEMBL5368513

Br[Ti](Br)(C1C=Cc2ccccc21)C1C=Cc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.38
HTR6 P50406 1/20 0.37
SIGMAR1 Q99720 2/20 0.31
KDM4E B2RXH2 2/20 0.31
BRD4 O60885 1/20 0.31
CCL2 P13500 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CHRM2 P08172 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
NFKB1 P19838 1/20 0.31
CHRM3 P20309 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31

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
SCHEMBL395683 0.78 HTR2A (0.38) HTR2AHTR6SIGMAR1KDM4EBRD4
SCHEMBL3699818 0.78 HTR2A (0.38) HTR2AHTR6SIGMAR1KDM4EBRD4
SCHEMBL7637233 0.78 HTR2A (0.38) HTR2AHTR6SIGMAR1KDM4EBRD4
SCHEMBL31427622 0.78 HTR2A (0.38) HTR2AHTR6SIGMAR1KDM4EBRD4
SCHEMBL7196286 0.78 HTR2A (0.38) HTR2AHTR6SIGMAR1KDM4EBRD4
SCHEMBL1929586 0.78 HTR2A (0.38) HTR2AHTR6SIGMAR1KDM4EBRD4
Ethylene SCHEMBL9409581 0.75 HTR2A (0.35) HTR2AHTR6SIGMAR1KDM4EBRD4
SCHEMBL31000042 0.75 HTR2A (0.35) HTR2AHTR6SIGMAR1RET
SCHEMBL4212369 0.75 HTR2A (0.35) HTR2AHTR6SIGMAR1
Ethylene SCHEMBL9409610 0.75 HTR2A (0.35) HTR2AHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7186782-B2 Hydrogenation catalyst composition and process for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2007-03-06 US claimed
US-20060041079-A1 Hydrogenation catalyst composition and process for hydrogenation of conjugated diene polymer TSRC CORPORATION 2006-02-23 US claimed
US-6881797-B2 Process for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2005-04-19 US claimed
US-20040082727-A1 Process for hydrogenation of conjugated diene polymer TSRC CORPORATION (CN) 2004-04-29 US claimed
US-7186782-B2 Hydrogenation catalyst composition and process for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2007-03-06 US disclosed
US-20060041079-A1 Hydrogenation catalyst composition and process for hydrogenation of conjugated diene polymer TSRC CORPORATION 2006-02-23 US disclosed
US-6881797-B2 Process for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2005-04-19 US disclosed
US-20040082727-A1 Process for hydrogenation of conjugated diene polymer TSRC CORPORATION (CN) 2004-04-29 US disclosed
US-5191027-A COMPOSITION COMPRISING AN EPOXY COMPOUND DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1993-03-02 US disclosed
EP-0397195-A2 A composition comprising an epoxy compound DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1990-11-14 EP disclosed