SCHEMBL28675392

SCHEMBL28675392

C(OCC1CO1)C1CO1.C=CC(=O)OCCCO

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
TSHR P16473 6/20 0.49
CYP3A4 P08684 3/20 0.49
HPGD P15428 1/20 0.45
TP53 P04637 4/20 0.44
HIF1A Q16665 3/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 1/20 0.36
THRB P10828 2/20 0.36
MAPK1 P28482 1/20 0.34
MGLL Q99685 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
SCHEMBL272759 0.95 ALDH1A1 (0.51) ALDH1A1TSHRCYP3A4HPGDTP53
SCHEMBL14244559 0.94 ALDH1A1 (0.54) ALDH1A1TSHRCYP3A4HPGDTP53
SCHEMBL14244498 0.94 ALDH1A1 (0.54) ALDH1A1TSHRCYP3A4HPGDTP53
SCHEMBL14244603 0.94 ALDH1A1 (0.54) ALDH1A1TSHRCYP3A4HPGDTP53
SCHEMBL14244556 0.94 ALDH1A1 (0.54) ALDH1A1TSHRCYP3A4HPGDTP53
SCHEMBL14244350 0.94 ALDH1A1 (0.54) ALDH1A1TSHRCYP3A4HPGDTP53
SCHEMBL14244380 0.94 ALDH1A1 (0.54) ALDH1A1TSHRCYP3A4HPGDTP53
Acrylic Acid Methyl Ester SCHEMBL27863025 0.93 TSHR (0.43) ALDH1A1TSHRCYP3A4HPGDTP53
SCHEMBL3356310 0.91 TSHR (0.61) ALDH1A1TSHRCYP3A4HPGDTP53
SCHEMBL268151 0.88 TSHR (0.58) ALDH1A1TSHRCYP3A4HPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113817138-A UV-cured fingerprint-resistant resin with high fluorine content and preparation method and application thereof 湖南昕逸辰科技有限公司 2021-12-21 CN claimed
CN-113817138-A UV-cured fingerprint-resistant resin with high fluorine content and preparation method and application thereof 湖南昕逸辰科技有限公司 2021-12-21 CN disclosed