SCHEMBL28029412

SCHEMBL28029412

C=CC(=O)OCC(C)COC(=O)/C=C\C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.58
HCAR2 Q8TDS4 10/20 0.50
HPGD P15428 1/20 0.39
ALDH1A1 P00352 4/20 0.38
TP53 P04637 3/20 0.38
HIF1A Q16665 3/20 0.38
CYP3A4 P08684 2/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
THRB P10828 2/20 0.33

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
SCHEMBL28239204 0.93 TSHR (0.67) TSHRHCAR2HPGDALDH1A1TP53
SCHEMBL7022068 0.91 HCAR2 (0.59) TSHRHCAR2ALDH1A1TP53
SCHEMBL27642336 0.89 TSHR (0.50) TSHRHCAR2HPGDALDH1A1TP53
SCHEMBL8965855 0.87 TSHR (0.75) TSHRHPGDALDH1A1TP53HIF1A
Fumaric Acid SCHEMBL11785039 0.85 TSHR (0.62) TSHRHCAR2HPGDALDH1A1TP53
Maleic Acid SCHEMBL3330980 0.85 TSHR (0.62) TSHRHCAR2HPGDALDH1A1TP53
SCHEMBL16002542 0.84 TSHR (0.50) TSHRHCAR2HPGDALDH1A1TP53
SCHEMBL3925814 0.83 TSHR (0.55) TSHRHCAR2HPGDALDH1A1TP53
SCHEMBL3925810 0.83 TSHR (0.55) TSHRHCAR2HPGDALDH1A1TP53
SCHEMBL11747190 0.81 HCAR2 (0.59) TSHRHCAR2ALDH1A1TP53

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 4 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-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