SCHEMBL28979359

SCHEMBL28979359

C=Cc1ccc([Si](OCCCCC)(OCCCCC)OCCCCC)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
APP P05067 4/20 0.32
NR5A1 Q13285 1/20 0.32
LTA4H P09960 2/20 0.31
AHR P35869 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 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
SCHEMBL23493385 0.95 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL2684791 0.88 ALDH1A1 (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL21829873 0.81 TP53 (0.39) LTA4HTP53TSHR
SCHEMBL28588169 0.81 ALDH1A1 (0.42) ALDH1A1TP53CYP3A4TSHR
SCHEMBL431999 0.80 ALDH1A1 (0.44) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL23493413 0.80 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL977974 0.80 CYP2D6 (0.39) CA1CA2NR5A1LTA4HCYP3A4
SCHEMBL4804045 0.77 LTA4H (0.47) ALDH1A1LTA4HTP53CYP3A4TSHR
SCHEMBL23493416 0.77 TP53 (0.38) ALDH1A1NR5A1TP53TSHR
SCHEMBL23493421 0.76 TP53 (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113493542-B Conjugated diene polymer, process for producing the same, conjugated diene polymer composition, and rubber composition 旭化成株式会社 2023-09-22 CN claimed
CN-112979876-B Branched conjugated diene polymer and method for producing same, method for producing rubber composition, and method for producing tire 旭化成株式会社 2023-09-08 CN claimed
CN-113372630-B Conjugated diene polymer composition and tire 旭化成株式会社 2023-05-26 CN claimed
CN-114174350-B Conjugated diene polymer, process for producing the same, oil-extended conjugated diene polymer, rubber composition, and tire 旭化成株式会社 2024-04-30 CN disclosed
CN-112940364-B Conjugated diene polymer composition and tire 旭化成株式会社 2023-10-03 CN disclosed
CN-113493542-B Conjugated diene polymer, process for producing the same, conjugated diene polymer composition, and rubber composition 旭化成株式会社 2023-09-22 CN disclosed
CN-112979876-B Branched conjugated diene polymer and method for producing same, method for producing rubber composition, and method for producing tire 旭化成株式会社 2023-09-08 CN disclosed
CN-113493543-B Conjugated diene polymer, process for producing the same, and rubber composition 旭化成株式会社 2023-09-05 CN disclosed
CN-113372630-B Conjugated diene polymer composition and tire 旭化成株式会社 2023-05-26 CN disclosed
CN-111936536-B Conjugated diene polymer, branching agent, method for producing conjugated diene polymer, oil-extended conjugated diene polymer, rubber composition, and tire 旭化成株式会社 2023-04-07 CN disclosed