Biphenyl

Biphenyl

SCHEMBL7657159

CC1=C(C)C(C)C([Ti](NC2CCCC2)[SiH](c2ccccc2)c2ccccc2)=C1C.c1ccc(-c2ccccc2)cc1

nearest known ligand 0.33

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Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
ADORA3 P0DMS8 5/20 0.32
ADORA2A P29274 5/20 0.32
ADORA1 P30542 5/20 0.32
ADORA2B P29275 4/20 0.32
EPHX1 P07099 1/20 0.30
NPC1 O15118 1/20 0.30
NR2F2 P24468 1/20 0.30
RAB9A P51151 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 SCHEMBL7652667 0.99 ADORA3 (0.33) MEN1KMT2AALDH1A1ADORA3ADORA2A
Biphenyl SCHEMBL7652584 0.99 ADORA3 (0.33) MEN1KMT2AALDH1A1ADORA3ADORA2A
Biphenyl SCHEMBL7651019 0.99 ADORA3 (0.33) MEN1KMT2AALDH1A1ADORA3ADORA2A
Biphenyl SCHEMBL7650492 0.99 ADORA3 (0.33) MEN1KMT2AALDH1A1ADORA3ADORA2A
Biphenyl SCHEMBL7653510 0.99 ADORA3 (0.33) MEN1KMT2AALDH1A1ADORA3ADORA2A
Biphenyl SCHEMBL7653183 0.99 ADORA3 (0.33) MEN1KMT2AALDH1A1ADORA3ADORA2A
Biphenyl SCHEMBL7653942 0.98 ADORA3 (0.32) MEN1KMT2AALDH1A1ADORA3ADORA2A
SCHEMBL6062575 0.95 ADORA3 (0.31) ADORA3ADORA2AADORA1NPC1RAB9A
SCHEMBL5824120 0.95 ADORA3 (0.31) ADORA3ADORA2AADORA1NPC1RAB9A
SCHEMBL5663725 0.95 ADORA3 (0.31) ADORA3ADORA2AADORA1NPC1RAB9A

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