SCHEMBL7031014

SCHEMBL7031014

C1=C(c2ccccc2)C([Hf]C2C(c3ccccc3)=Cc3ccccc32)c2ccccc21

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
CFTR P13569 1/20 0.31
GOPC Q9HD26 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL7651675 0.96 ALDH1A1 (0.33) ALDH1A1
SCHEMBL7647078 0.88 KMO (0.33) ALDH1A1
Biphenyl SCHEMBL7060479 0.79 ALDH1A1 (0.36) ALDH1A1
SCHEMBL4384850 0.78 DRD2 (0.38) CYP19A1CYP11B1CYP11B2CFTRGOPC
SCHEMBL7634910 0.77 CNR1 (0.35) ALDH1A1
SCHEMBL7025983 0.77 RXRA (0.32)
SCHEMBL27448383 0.75 ALDH1A1 (0.33) CYP19A1CYP11B1CYP11B2CFTRGOPC
Hydrochloric Acid SCHEMBL17836078 0.74 CYP11B1 (0.40) CYP19A1CYP11B1CYP11B2CFTRGOPC
Hydrochloric Acid SCHEMBL1539598 0.73 CYP11B1 (0.35) CYP19A1CYP11B1CYP11B2CFTRGOPC
Iodide SCHEMBL1539609 0.73 ALDH1A1 (0.32) CYP19A1CYP11B1CYP11B2CFTRGOPC

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-6559262-B1 An elastomeric amorphous-crystalline blocks copolymer of at least one alpha olefin monomor with ethylene having less than 10 mole % ethylene units, said ethylene is incorporated randomly between the olefin units in the polymer chain with a THE BOARD OF TRUSTEES OF THE LELAND STANFORD JR. UNIVERSITY 2003-05-06 US disclosed
US-20010049425-A1 High-melting polyolefin copolymer elastomers, catalysts and methods of synthesis BP CORPORATION NORTH AMERICA INC. 2001-12-06 US disclosed
US-5594080-A POLYMERIZATION CATALYSIS OF METALLOCENES WITH CYCLOPENTADIENE AND METALS LELAND STANFORD, JR. UNIVERSITY (US) 1997-01-14 US disclosed