SCHEMBL6543142

SCHEMBL6543142

COC1(P(C2CCCCC2)C2CCCCC2)CC=CC=C1c1ccccc1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR5A2 O00482 1/20 0.30
NR5A1 Q13285 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
SCHEMBL1317333 0.83 HPGD (0.35)
SCHEMBL29047751 0.82 HPGD (0.34)
SCHEMBL28364725 0.82 HPGD (0.34)
SCHEMBL382831 0.80
SCHEMBL7596076 0.78
SCHEMBL620863 0.78 SLC6A2 (0.31)
SCHEMBL27766224 0.77
SCHEMBL28662481 0.77 SLC6A2 (0.31)
SCHEMBL6386581 0.76
SCHEMBL7598023 0.76

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
CN-1745049-A Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INST TECHNOLOGY (US) 2006-03-08 CN disclosed
EP-1259475-A4 TRANSITION METAL-CATALYZED PROCESS FOR ADDITION OF AMINES TO CARBON-CARBON DOUBLE BONDS UNIV YALE (US) 2004-08-18 EP disclosed
EP-1259475-A1 TRANSITION METAL-CATALYZED PROCESS FOR ADDITION OF AMINES TO CARBON-CARBON DOUBLE BONDS YALE UNIVERSITY (US) 2002-11-27 EP disclosed
WO-2001064620-A1 TRANSITION METAL-CATALYZED PROCESS FOR ADDITION OF AMINES TO CARBON-CARBON DOUBLE BONDS YALE UNIVERSITY (US) 2001-09-07 WO disclosed