SCHEMBL28989641

SCHEMBL28989641

C=CC(=O)OCCCCc1c2ccccc2cc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.49
TSHR P16473 5/20 0.49
ALDH1A1 P00352 3/20 0.49
CYP3A4 P08684 1/20 0.49
HPGD P15428 1/20 0.41
TP53 P04637 2/20 0.41
HIF1A Q16665 2/20 0.41
HSD17B10 Q99714 1/20 0.41
ABCB1 P08183 9/20 0.38
ABCG2 Q9UNQ0 6/20 0.37
RAD52 P43351 1/20 0.37
EPHX1 P07099 1/20 0.37
HTR2A P28223 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
THRA P10827 1/20 0.36

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
SCHEMBL28989662 0.99 TSHR (0.51) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL29503776 0.96 THRB (0.50) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL6837942 0.90 THRB (0.53) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL29503672 0.83 THRB (0.49) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL116992 0.82 ABCB1 (0.53) THRBTSHRALDH1A1CYP3A4ABCB1
SCHEMBL28989666 0.82 THRB (0.48) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL29531071 0.81 EPHX1 (0.50) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL68439 0.81 EPHX1 (0.50) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL29503714 0.81 THRB (0.49) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL8038228 0.81 THRB (0.49) THRBTSHRALDH1A1CYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250243389-A1 COMPOSITION COMPRISING ADDITIVE HAVING A POLYCYCLIC AROMATIC GROUP E INK CORPORATION 2025-07-31 US claimed
US-20250243389-A1 COMPOSITION COMPRISING ADDITIVE HAVING A POLYCYCLIC AROMATIC GROUP E INK CORPORATION 2025-07-31 US disclosed
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
US-20220081596-A1 COMPOSITION COMPRISING ADDITIVE HAVING A POLYCYCLIC AROMATIC GROUP E INK CORPORATION 2022-03-17 US disclosed