SCHEMBL6544747

SCHEMBL6544747

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

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.34
HTR2A P28223 1/20 0.31
POLB P06746 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
SCHEMBL6545167 0.81 MEN1 (0.33) GPR3POLB
SCHEMBL5569765 0.81 ACHE (0.33) GPR3HTR2A
SCHEMBL6544498 0.78 GPR3 (0.46) GPR3HTR2APOLB
SCHEMBL9602938 0.71 GPR3 (0.34) GPR3HTR2APOLB
SCHEMBL8587289 0.71 HTR2A (0.42) GPR3HTR2A
SCHEMBL8661771 0.65 HTR2A (0.39) HTR2A
SCHEMBL1304934 0.62 HTR2A (0.48) GPR3HTR2APOLB
SCHEMBL29490167 0.62 HTR2A (0.48) GPR3HTR2APOLB
SCHEMBL2882645 0.61 GPR3 (0.41) GPR3HTR2APOLB
SCHEMBL29130722 0.61 GPR3 (0.41) GPR3HTR2APOLB

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