SCHEMBL31039634

SCHEMBL31039634

CC1C2=C(CCCC2[Ti](Cc2ccccc2)(Cc2ccccc2)Cc2ccccc2)c2ccccc21

nearest known ligand 0.30

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.30
PTGS2 P35354 1/20 0.30
HRH1 P35367 1/20 0.30
HTR3A P46098 1/20 0.30
PDE4D Q08499 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 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
SCHEMBL6253720 1.00 ADRA2C (0.30) ADRA2CPTGS2HRH1HTR3APDE4D
SCHEMBL8422716 0.85
SCHEMBL6250424 0.83 GPR3 (0.31) ADRA2CPTGS2HRH1HTR3APDE4D
SCHEMBL31039636 0.83 GPR3 (0.31) ADRA2CPTGS2HRH1HTR3APDE4D
SCHEMBL28429503 0.77
SCHEMBL6252946 0.73 PARP1 (0.32) ADRA2CPTGS2HRH1HTR3APDE4D
SCHEMBL6249924 0.71 SIGMAR1 (0.32)
SCHEMBL31039633 0.71 SIGMAR1 (0.32)
Hydrochloric Acid SCHEMBL6250421 0.71 GPR3 (0.30)
Hydrochloric Acid SCHEMBL31039632 0.71 GPR3 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111433231-B Method for producing styrene resin and styrene resin molded body 出光兴产株式会社 2024-07-16 CN disclosed