SCHEMBL21409581

SCHEMBL21409581

CC1=C(C)C([Zr](C)C)c2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.34
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
HTR2A P28223 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
SCHEMBL4079006 0.82 GPR3 (0.33) GPR3
SCHEMBL7103508 0.80 GPR3 (0.46) GPR3HDAC3HDAC4HDAC7HDAC8
SCHEMBL8201868 0.79 ACHE (0.33) GPR3HTR2A
SCHEMBL8202195 0.79 GPR3 (0.31) GPR3
Hydrochloric Acid SCHEMBL8383875 0.74 POLB (0.35) GPR3HDAC3HDAC4HDAC7HDAC8
Hydrochloric Acid SCHEMBL8382778 0.74 GPR3 (0.32) GPR3HTR2A
SCHEMBL6905173 0.72 MEN1 (0.32) GPR3HDAC3HDAC4HDAC7HDAC8
SCHEMBL8679845 0.72 ALDH1A1 (0.36)
SCHEMBL1941203 0.71 GPR3 (0.38) GPR3HTR2A
Hydrochloric Acid SCHEMBL8384503 0.71 MEN1 (0.31) GPR3HDAC3HDAC4HDAC7HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111868113-B Ultra-high molecular weight polyethylene powder 旭化成株式会社 2023-04-07 CN disclosed
WO-2019187727-A1 ULTRAHIGH MOLECULAR WEIGHT POLYETHYLENE POWDER 旭化成株式会社 2019-10-03 WO disclosed
CN-105601957-A Polyethylene powder ASAHI KASEI CORP 2016-05-25 CN disclosed
CN-104804276-A High molecular weight polyethylene powder, microporous film and high-strength fiber ASAHI KASEI CHEMICALS CORP 2015-07-29 CN disclosed
CN-103946245-A Catalyst for olefin polymerization and copolymerization and method for olefin polymerization or copolymerization using the same SAMSUNG TOTAL PETROCHEMICALS 2014-07-23 CN disclosed
CN-100434444-C Olefin polymerization catalyst and olefin polymerization method using the same ASAHI CHEMICAL IND (JP) 2008-11-19 CN disclosed
CN-100379769-C Ultrahigh-molecular ethylene polymer ASAHI CHEMICAL CORP (JP) 2008-04-09 CN disclosed
CN-1759127-A Ultrahigh-molecular ethylene polymer ASAHI CHEMICAL CORP (JP) 2006-04-12 CN disclosed
CN-1571800-A Process for polymerization of olefins ASAHI CHEMICAL IND (JP) 2005-01-26 CN disclosed