SCHEMBL5599863

SCHEMBL5599863

CC1=Cc2c(-c3ccccc3)cccc2C1[Zr](Cl)(Cl)(Bc1ccccc1)C1C(C)=Cc2c(-c3ccccc3)cccc21

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.30
HTR7 P34969 1/20 0.30
HTR2B P41595 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL5599519 0.85 DHFR (0.31)
SCHEMBL5003453 0.83
SCHEMBL8853355 0.81 PDCD1 (0.32) HTR1AHTR7HTR2BTMEM97SIGMAR1
SCHEMBL139123 0.81 PDCD1 (0.32)
SCHEMBL1240922 0.80 PDCD1 (0.31)
SCHEMBL136348 0.78 PDCD1 (0.30)
SCHEMBL217524 0.78 PDCD1 (0.30)
SCHEMBL338922 0.78 PDCD1 (0.30)
SCHEMBL141649 0.78 PDCD1 (0.33) HTR2BTMEM97
SCHEMBL1239934 0.78 PDCD1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7214745-B2 Process for producing polymer DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2007-05-08 US disclosed
US-20050176901-A1 Process for producing polymer DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2005-08-11 US disclosed
EP-1428840-A1 PROCESS FOR PRODUCING POLYMER DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2004-06-16 EP disclosed