Biphenyl

Biphenyl

SCHEMBL7651019

CC1=C(C)C(C)C([Ti](NC2CCCCC2)[SiH](c2ccccc2)c2ccccc2)=C1C.c1ccc(-c2ccccc2)cc1

nearest known ligand 0.33

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Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.33
ADORA2A P29274 5/20 0.33
ADORA1 P30542 5/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
EPHX1 P07099 1/20 0.32
ADORA2B P29275 4/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30
RECQL P46063 1/20 0.30
FAAH O00519 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
Biphenyl SCHEMBL7650492 1.00 ADORA3 (0.33) ADORA3ADORA2AADORA1ALDH1A1MEN1
Biphenyl SCHEMBL7652667 1.00 ADORA3 (0.33) ADORA3ADORA2AADORA1ALDH1A1MEN1
Biphenyl SCHEMBL7652584 1.00 ADORA3 (0.33) ADORA3ADORA2AADORA1ALDH1A1MEN1
Biphenyl SCHEMBL7653510 1.00 ADORA3 (0.33) ADORA3ADORA2AADORA1ALDH1A1MEN1
Biphenyl SCHEMBL7653721 1.00 ADORA3 (0.33) ADORA3ADORA2AADORA1ALDH1A1MEN1
Biphenyl SCHEMBL7653183 1.00 ADORA3 (0.33) ADORA3ADORA2AADORA1ALDH1A1MEN1
Biphenyl SCHEMBL7657159 0.99 MEN1 (0.33) ADORA3ADORA2AADORA1ALDH1A1MEN1
Biphenyl SCHEMBL7653942 0.96 ADORA3 (0.32) ADORA3ADORA2AADORA1ALDH1A1MEN1
SCHEMBL5824120 0.96 ADORA3 (0.31) ADORA3ADORA2AADORA1SMN1; SMN2
SCHEMBL5663725 0.96 ADORA3 (0.31) ADORA3ADORA2AADORA1SMN1; SMN2

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-6423795-B1 USING COORDINATION CATALYST EXXONMOBIL CHEMICAL PATENTS INC. 2002-07-23 US disclosed
US-RE37788-E1 Monocyclopentadienyl metal compounds for ethylene-α-olefin-copolymer production catalysts EXXON CHEMICAL PATENTS, INC. 2002-07-09 US disclosed
US-5621126-A METAL COMPLEX WITH CYCLOPENTADIENE CONTAINS AN AMIDO GROUP HAVING ALIPHATIC OR ALICYCLIC HYDROCARBYL GROUP COVALENTLY BONDED THERETO THROUGH A PRIMARY OR SECONDARY CARBON ATOM; USED AS POLYMERIZATION CATALYST EXXON CHEMICAL PATENTS INC. (US) 1997-04-15 US disclosed