SCHEMBL8616065

SCHEMBL8616065

CCC1=CC(c2ccccc2)=C([Hf])C1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL8614512 0.83 TSHR (0.36) HPGDSMN1; SMN2L3MBTL1
SCHEMBL8079538 0.79 TP53 (0.33) TP53HPGDSMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL8618735 0.73 ALDH1A1 (0.31)
Hydrochloric Acid SCHEMBL8614255 0.69
Hydrochloric Acid SCHEMBL8616064 0.69
SCHEMBL8619339 0.67
SCHEMBL1583270 0.63 DPP4 (0.39)
SCHEMBL8087970 0.63 HSD11B1 (0.36)
SCHEMBL6251775 0.62 TP53 (0.34) TP53L3MBTL1
SCHEMBL1539683 0.60 ACHE (0.53) L3MBTL1

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-0837865-A1 PROCESS FOR CONVERTING THE ACHIRAL MESO FORM OF AN ANSA-METALLOCENE COMPLEX INTO THE CHIRAL RACEMIC FORM BASF AKTIENGESELLSCHAFT (DE) 1998-04-29 EP disclosed
EP-0837866-A1 PROCESS FOR CONVERTING THE ACHIRAL MESO FORM OR THE RACEMATE OF AN ANSA-METALLOCENE COMPLEX OR MIXTURES THEREOF INTO ONE OF ITS ENANTIOMERS BASF AKTIENGESELLSCHAFT (DE) 1998-04-29 EP disclosed
WO-1997003081-A1 PROCESS FOR CONVERTING THE ACHIRAL MESO FORM OR THE RACEMATE OF AN ANSA-METALLOCENE COMPLEX OR MIXTURES THEREOF INTO ONE OF ITS ENANTIOMERS BASF AKTIENGESELLSCHAFT (DE) 1997-01-30 WO disclosed
WO-1997003080-A1 PROCESS FOR CONVERTING THE ACHIRAL MESO FORM OF AN ANSA-METALLOCENE COMPLEX INTO THE CHIRAL RACEMIC FORM BASF AKTIENGESELLSCHAFT (DE) 1997-01-30 WO disclosed