SCHEMBL6545167

SCHEMBL6545167

[Li]c1cccc2c1C(P(C(C)C)C(C)C)c1ccccc1-2

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
GPR3 P46089 1/20 0.32

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
SCHEMBL6544747 0.81 GPR3 (0.34) POLBGPR3
SCHEMBL6544336 0.80 GPR3 (0.41) MEN1POLBKMT2AATMGPR3
SCHEMBL5569765 0.77 ACHE (0.33) GPR3
SCHEMBL9602938 0.68 GPR3 (0.34) POLBGPR3
SCHEMBL8587289 0.68 HTR2A (0.42) GPR3
SCHEMBL6544498 0.62 GPR3 (0.46) MEN1POLBKMT2AATMGPR3
SCHEMBL8661771 0.61 HTR2A (0.39)
SCHEMBL2546803 0.61 ACHE (0.39) MEN1POLBKMT2AATMGPR3
SCHEMBL1304934 0.59 HTR2A (0.48) MEN1POLBKMT2AGPR3
SCHEMBL29490167 0.59 HTR2A (0.48) MEN1POLBKMT2AGPR3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057174-B1 NEW CYCLOPENTADIENYL, INDENYL OR FLUORENYL SUBSTITUTED PHOSPHINE COMPOUNDS AND THEIR USE IN CATALYTIC REACTIONS EVONIK DEGUSSA GMBH (DE) 2014-12-17 EP disclosed
EP-1373284-A1 CATALYSTS CHARACTERIZED BY A DONOR-ACCEPTOR INTERACTION Bayer Aktiengesellschaft (DE) 2004-01-02 EP disclosed
US-6657027-B2 Compounds in which a transition metal is complexed with two ligand systems that systems are reversibly bonded together by a bridge ofa donor and an acceptor; at least one fluorinated aryl radical; olefin polymerization catalysts BAYER AKTIENGESELLSCHAFT (DE) 2003-12-02 US disclosed
US-20030036474-A1 Catalysts with a donor-acceptor interaction LANXESS DEUTSCHLAND GMBH (DE) 2003-02-20 US disclosed
WO-2002076999-A1 CATALYSTS CHARACTERIZED BY A DONOR-ACCEPTOR INTERACTION BAYER AKTIENGESELLSCHAFT (DE) 2002-10-03 WO disclosed