SCHEMBL28041345

SCHEMBL28041345

C[Hf](C)C1C=Cc2c(-c3cccc(C(C)(C)C)c3)cccc21

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.38
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
PTAFR P25105 1/20 0.32
PTPN5 P54829 2/20 0.32
HTR1A P08908 1/20 0.30
HTR7 P34969 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL18124398 0.90 RXRA (0.33) RXRARXRB
SCHEMBL28041264 0.86 BRD4 (0.34) KIF11
Hydrochloric Acid SCHEMBL17387075 0.85 KIF11 (0.35) KIF11RXRARXRBPTPN5
SCHEMBL27978443 0.81 CHRNB2 (0.33) HTR1AHTR7TMEM97SIGMAR1
SCHEMBL17386832 0.81 KIF11 (0.40) KIF11RXRARXRBPTAFRPTPN5
Hydrochloric Acid SCHEMBL28041347 0.80 KIF11 (0.42) KIF11RXRARXRBPTAFRPTPN5
SCHEMBL28041360 0.79 EDNRB (0.32) HTR1AHTR7
SCHEMBL28041350 0.78 BRD4 (0.36) RXRARXRBPTPN5
SCHEMBL28238717 0.78 CNR1 (0.32)
SCHEMBL28041133 0.77 HTR7 (0.37) HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105026408-B Metallocene compound, olefin polymer catalyst, the manufacturing method of olefin polymer and olefin polymer 日本聚乙烯株式会社 2018-09-11 CN disclosed
CN-105026408-A Metallocene compound, catalyst for olefin polymer, method for producing olefin polymer, and olefin polymer JAPAN POLYETHYLENE CORP 2015-11-04 CN disclosed