SCHEMBL25310380

SCHEMBL25310380

C=C(C)C(=O)OCCCCc1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDYL Q9Y232 1/20 0.46
TSHR P16473 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
POLB P06746 1/20 0.45
APEX1 P27695 1/20 0.45
HTT P42858 1/20 0.45
MCL1 Q07820 2/20 0.44
MTNR1A P48039 8/20 0.44
KDM4E B2RXH2 1/20 0.44
MTNR1B P49286 6/20 0.43

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
SCHEMBL28989701 0.99 TSHR (0.48) CDYLTSHRTDP1POLBAPEX1
SCHEMBL31467476 0.90 CDYL (0.49) CDYLTDP1MCL1MTNR1AKDM4E
SCHEMBL68440 0.90 CDYL (0.49) CDYLTDP1MCL1MTNR1AKDM4E
SCHEMBL29503732 0.88 MTNR1A (0.46) TSHRTDP1POLBAPEX1HTT
Hydrochloric Acid SCHEMBL31467475 0.88 CDYL (0.47) CDYLTDP1MCL1MTNR1AKDM4E
SCHEMBL28989935 0.87 POLB (0.47) TSHRTDP1POLBAPEX1HTT
SCHEMBL29503685 0.84 MTNR1A (0.44) TSHRTDP1POLBAPEX1HTT
SCHEMBL27549022 0.84 MEN1 (0.44) TSHRTDP1POLBAPEX1HTT
SCHEMBL717112 0.83 MEN1 (0.56) TSHRTDP1POLBAPEX1HTT
SCHEMBL28989825 0.82 MEN1 (0.54) TSHRTDP1POLBAPEX1HTT

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
EP-4214247-A1 COMPOSITION COMPRISING ADDITIVE HAVING A POLYCYCLIC AROMATIC GROUP E Ink Corporation (US) 2023-07-26 EP disclosed
CN-115989251-A Composition comprising an additive having polycyclic aromatic groups 伊英克公司 2023-04-18 CN disclosed
WO-2022060692-A1 COMPOSITION COMPRISING ADDITIVE HAVING A POLYCYCLIC AROMATIC GROUP E INK CORPORATION (US) 2022-03-24 WO disclosed