SCHEMBL28677496

SCHEMBL28677496

Cc1ccc(C2=Cc3c(ccc(C)c3-c3ccccc3)C2[Zr](Cl)(Cl)C2C(c3ccc(C)o3)=Cc3c2cc(C)c(C)c3-c2ccccc2)o1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
ADORA2A P29274 1/20 0.30
ADORA1 P30542 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
SCHEMBL28655714 0.89 PTGS1 (0.35) PTGS1PTGS2
SCHEMBL28677598 0.87 PTGS1 (0.34) PTGS1PTGS2
SCHEMBL28670209 0.86 PTGS1 (0.33) PTGS1PTGS2ADORA2AADORA1
SCHEMBL18393704 0.81 PTGS1 (0.34) PTGS1PTGS2ADORA2AADORA1
SCHEMBL15712970 0.81 PTGS1 (0.37) PTGS1PTGS2ADORA2AADORA1
SCHEMBL28330929 0.81 HTR2C (0.31)
Hydrochloric Acid SCHEMBL28329691 0.80 PTGS1 (0.34) PTGS1PTGS2ADORA2AADORA1
SCHEMBL28660132 0.80
Hydrochloric Acid SCHEMBL28677533 0.79 PTGS1 (0.38) PTGS1PTGS2
SCHEMBL18632069 0.78 PTGS1 (0.39) PTGS1PTGS2ADORA2AADORA1

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-113631591-B Process for producing catalyst component for olefin polymerization, process for producing catalyst for olefin polymerization, and process for producing olefin polymer 日本聚丙烯株式会社 2023-05-05 CN disclosed
CN-110483670-B Metallocene complex and process for producing olefin polymer 日本聚丙烯株式会社 2021-11-30 CN disclosed