SCHEMBL11074682

SCHEMBL11074682

O=C(OOC(F)(F)F)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.71
TDP1 Q9NUW8 4/20 0.71
ALDH1A1 P00352 4/20 0.71
HSD17B10 Q99714 1/20 0.71
LMNA P02545 2/20 0.64
F2 P00734 1/20 0.64
CES1 P23141 3/20 0.48
MAPK1 P28482 1/20 0.47
HIF1A Q16665 1/20 0.47
MAPT P10636 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TP53 P04637 1/20 0.44
KMT2A Q03164 4/20 0.42
POLB P06746 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CES2 O00748 2/20 0.41
DAO P14920 1/20 0.41
NAPRT Q6XQN6 1/20 0.41

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
Trifluoroacetic Acid SCHEMBL28078750 0.83 TSHR (0.83) TSHRTDP1ALDH1A1HSD17B10LMNA
SCHEMBL9183136 0.83 TSHR (1.00) TSHRTDP1ALDH1A1HSD17B10LMNA
Benzene SCHEMBL9464161 0.83 TSHR (1.00) TSHRTDP1ALDH1A1HSD17B10LMNA
Hydrogen Peroxide SCHEMBL29071816 0.83 TSHR (1.00) TSHRTDP1ALDH1A1HSD17B10LMNA
SCHEMBL22820 0.83 TSHR (1.00) TSHRTDP1ALDH1A1HSD17B10LMNA
Methyl Alcohol SCHEMBL28396775 0.82 TDP1 (0.96) TSHRTDP1ALDH1A1HSD17B10LMNA
SCHEMBL11143628 0.82 TDP1 (0.96) TSHRTDP1ALDH1A1HSD17B10LMNA
SCHEMBL28771784 0.82 TDP1 (0.96) TSHRTDP1ALDH1A1HSD17B10LMNA
Bicarbonate SCHEMBL28102775 0.82 TDP1 (0.96) TSHRTDP1ALDH1A1HSD17B10LMNA
Methane SCHEMBL27867863 0.82 TDP1 (0.96) TSHRTDP1ALDH1A1HSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4373821-A1 GLUCAGON-LIKE PEPTIDE-1 RECEPTOR MODULATORS AND USES THEREOF Hepagene Therapeutics (HK) Limited (HK) 2024-05-29 EP disclosed
WO-2024056019-A1 BICYCLIC COMPOUNDS AS CDK INHIBITORS BEIGENE, LTD. (KY) 2024-03-21 WO disclosed
WO-2023134712-A1 ANTIDIABETIC COMPOUNDS AND COMPOSITIONS REZUBIO PHARMACEUTICALS CO., LTD (CN) 2023-07-20 WO disclosed
WO-2023001237-A1 GLUCAGON-LIKE PEPTIDE-1 RECEPTOR MODULATORS AND USES THEREOF Hepagene Therapeutics (HK) Limited (CN) 2023-01-26 WO disclosed
CN-115073342-A Method and device for continuously preparing powdered benzoyl peroxide 睦化(上海)流体工程有限公司 2022-09-20 CN disclosed
CN-115023426-A Pesticidally active heterocyclic derivatives with sulfur-containing substituents 先正达农作物保护股份公司 2022-09-06 CN disclosed
WO-2022148422-A1 BRIDGED COMPOUNDS AS KRAS G12D INHIBITOR AND DEGRADER AND THE USE THEREOF BEIGENE, LTD. (KY) 2022-07-14 WO disclosed
WO-2020004521-A1 THERAPEUTIC AGENT FOR INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES, FIBROTIC DISEASES, AND CANCER DISEASES Meiji Seikaファルマ株式会社 2020-01-02 WO disclosed
WO-2019034009-A1 Btk INHIBITORS WITH IMPROVED DUAL SELECTIVITY BEIGENE, LTD. (KY) 2019-02-21 WO disclosed
EP-3114190-A1 BI-NUCLEAR MAIN GROUP METAL PHOSPHORESCENT EMITTER Siemens Aktiengesellschaft (DE) 2017-01-11 EP disclosed
WO-2016161572-A1 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2016-10-13 WO disclosed
WO-2015180901-A1 BI-NUCLEAR MAIN GROUP METAL PHOSPHORESCENT EMITTER SIEMENS AKTIENGESELLSCHAFT (DE) 2015-12-03 WO disclosed
CN-101903375-B Carboxyl- or hydroxyl-substituted benzimidazole derivatives HOFFMANN LA ROCHE 2014-05-21 CN disclosed
CN-102083816-A Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE SA 2011-06-01 CN disclosed
CN-101903375-A Carboxyl- or hydroxyl-substituted benzimidazole derivatives HOFFMANN LA ROCHE 2010-12-01 CN disclosed
US-4431590-A 1-Chlorosulphonyl-2,3,4,10-tetrahydro-1H-chromeno[3,4-c]azet-2-one HOFFMANN-LA ROCHE INC. (US) 1984-02-14 US disclosed
US-4322360-A Process for producing imidazolidone intermediates of biotin HOFFMANN-LA ROCHE INC. (US) 1982-03-30 US disclosed
US-4284788-A Imidazolidone intermediates of biotin HOFFMANN-LA ROCHE INC. (US) 1981-08-18 US disclosed