SCHEMBL7949935

SCHEMBL7949935

CC1=C2c3c(-c4ccccc4)cccc3C1[Zr](Oc1ccc(C)cc1C(C)(C)C)(Oc1ccc(C)cc1C(C)(C)C)C1C(C)=C(c3c(-c4ccccc4)cccc31)[Si]2(C)C

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.32
PTGDR2 Q9Y5Y4 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
SCHEMBL7944940 0.89 IDO1 (0.30) IDO1PTGDR2
SCHEMBL7947216 0.87 IDO1 (0.33) IDO1
SCHEMBL7949900 0.85 IDO1 (0.33) IDO1PTGDR2
SCHEMBL7950024 0.83 LPAR1 (0.33)
SCHEMBL7944957 0.82 IDO1 (0.33) IDO1
SCHEMBL7949914 0.81 IDO1 (0.33) IDO1
SCHEMBL7946102 0.77
SCHEMBL7946157 0.76
SCHEMBL5067415 0.74 PDCD1 (0.31)
SCHEMBL7947220 0.73

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
US-6262286-B1 REACTING AROMATIC TRANSITION METAL COMPLEXES WITH ALKALI OR ALKALI METAL CYCLOPENTADIENYL DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2001-07-17 US disclosed