SCHEMBL28029410

SCHEMBL28029410

C=CC(=O)OCC(C)COC(=O)C1CCCCC1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
TP53 P04637 2/20 0.36
CYP3A4 P08684 2/20 0.36
TAAR1 Q96RJ0 1/20 0.33
ACE P12821 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
HPGD P15428 1/20 0.32
SLC18A2 Q05940 1/20 0.32

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
SCHEMBL27641855 0.90 TSHR (0.39) TSHRTP53CYP3A4TAAR1ALDH1A1
SCHEMBL6430337 0.85 TSHR (0.49) TSHRTP53CYP3A4TAAR1ACE
SCHEMBL1151516 0.85 TSHR (0.41) TSHRTP53CYP3A4TAAR1ACE
SCHEMBL21699935 0.83 TSHR (0.41) TSHRTP53CYP3A4
SCHEMBL20143340 0.83 TSHR (0.38) TSHRTP53CYP3A4
SCHEMBL16609322 0.83 TSHR (0.38) TSHRTP53CYP3A4ALDH1A1
SCHEMBL28704490 0.81 TP53 (0.40) TP53CYP3A4TAAR1ACE
SCHEMBL13779731 0.81 TSHR (0.44) TSHRTP53CYP3A4ALDH1A1MAPK1
SCHEMBL19088718 0.81 TSHR (0.47) TSHRTP53CYP3A4ALDH1A1MAPK1
SCHEMBL35406 0.81 TSHR (0.47) TSHRTP53CYP3A4ALDH1A1MAPK1

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
CN-113316744-A Oxime ester photoinitiators with specific aroyl chromophores 巴斯夫欧洲公司 2021-08-27 CN disclosed
CN-109666319-A hard coating film and antireflection film 株式会社凸版巴川光学薄膜 2019-04-23 CN disclosed
CN-105175315-B Photo-corrosion-resisting agent composition 巴斯夫欧洲公司 2018-08-28 CN disclosed
CN-103153952-B The oxime ester derivative of benzo carbazole compound and in photopolymerisable compositions as the purposes of photoinitiator 巴斯夫欧洲公司 2016-07-13 CN disclosed
CN-105175315-A Photoresist composition BASF SE 2015-12-23 CN disclosed
CN-102361896-B Photoresist composition BASF SE (DE) 2015-10-07 CN disclosed