SCHEMBL8930201

SCHEMBL8930201

COCC(C)C(=O)O.COCCC(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
SLC1A1 P43005 1/20 0.39
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
CA12 O43570 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
DDAH1 O94760 1/20 0.34
FOLH1 Q04609 2/20 0.33
NAALAD2 Q9Y3Q0 2/20 0.33
GABRR1 P24046 2/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 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
Lactic Acid SCHEMBL8929812 0.84 TSHR (0.48) TSHRSLC1A1KMT2AALDH1A1MEN1
SCHEMBL143520 0.83
SCHEMBL1708891 0.83
SCHEMBL11933048 0.83
SCHEMBL29000521 0.81 TSHR (0.67) TSHRKMT2AALDH1A1MEN1CA12
SCHEMBL27522 0.81
Acetic Acid SCHEMBL28820394 0.79 TSHR (0.57) TSHRSLC1A1KMT2AALDH1A1MEN1
Acetic Acid SCHEMBL8230941 0.79 GABRR1 (0.41) CYP1A2ALDH1A1KDM4EFOLH1NAALAD2
SCHEMBL31461006 0.79 TSHR (0.39) TSHRSLC1A1CYP1A2KMT2AALDH1A1
Hydrochloric Acid SCHEMBL27575104 0.79

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-114823748-A Image sensor 采钰科技股份有限公司 2022-07-29 CN disclosed
US-5612303-A HYDROXY OR ETHERIFIED ESTERS NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1997-03-18 US disclosed