SCHEMBL8750699

SCHEMBL8750699

C=[Ti](C1C=Cc2ccccc21)C1c2ccccc2-c2ccccc21

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.32
HTR2A P28223 1/20 0.32
CYP2D6 P10635 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
Methyl Alcohol SCHEMBL8160970 0.95 CYP2D6 (0.32) HTR2ACYP2D6
SCHEMBL8383847 0.85 HTR2A (0.38) HTR6HTR2ACYP2D6
Hydrochloric Acid SCHEMBL2535809 0.83 HTR2A (0.36) HTR6HTR2ACYP2D6
Hydrochloric Acid SCHEMBL7642661 0.83 HTR2A (0.36) HTR6HTR2ACYP2D6
SCHEMBL8166078 0.76 GPR3 (0.31) HTR2ACYP2D6
SCHEMBL8750712 0.76 GPR3 (0.31) HTR2ACYP2D6
SCHEMBL7109333 0.76 HTR2A (0.33) HTR2ACYP2D6
SCHEMBL7029081 0.75 SIGMAR1 (0.38) HTR6HTR2A
Hydrochloric Acid SCHEMBL8382252 0.74 KDM4E (0.35) HTR2ACYP2D6
Hydrochloric Acid SCHEMBL8382785 0.74 POLB (0.33) CYP2D6

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-0769504-A1 PROCESS FOR PRODUCING STYRENIC POLYMER IDEMITSU KOSAN COMPANY LIMITED (JP) 1997-04-23 EP disclosed
EP-0591841-B1 Process for producing styrenic polymer IDEMITSU KOSAN CO (JP) 1997-04-09 EP disclosed
EP-0659775-A2 Process for producing styrenic polymer IDEMITSU KOSAN COMPANY LIMITED (JP) 1995-06-28 EP disclosed
EP-0584646-A2 Process for producing styrenic polymer IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1994-03-02 EP disclosed