SCHEMBL1725786

SCHEMBL1725786

FC(F)(F)NC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
RAB9A P51151 3/20 0.43
MAPT P10636 1/20 0.43
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
EPHX1 P07099 6/20 0.38
CYP3A4 P08684 2/20 0.38
CA1 P00915 2/20 0.38
KDM4E B2RXH2 2/20 0.38
EPHX2 P34913 2/20 0.38
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
CA12 O43570 1/20 0.38

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
SCHEMBL9620602 0.80 ALDH1A1 (0.41) ALDH1A1HSD17B10NPC1SMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL933591 0.80
SCHEMBL24225714 0.73 EPHX1 (0.43) ALDH1A1NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL7778173 0.73 ALDH1A1 (0.45) ALDH1A1HSD17B10NPC1SMN1; SMN2RAB9A
SCHEMBL1222189 0.73 ALDH1A1 (0.45) ALDH1A1HSD17B10NPC1SMN1; SMN2RAB9A
SCHEMBL7775102 0.73 ALDH1A1 (0.45) ALDH1A1HSD17B10NPC1SMN1; SMN2RAB9A
SCHEMBL50080 0.73 ALDH1A1 (0.45) ALDH1A1HSD17B10NPC1SMN1; SMN2RAB9A
SCHEMBL272103 0.73 ALDH1A1 (0.45) ALDH1A1HSD17B10NPC1SMN1; SMN2RAB9A
SCHEMBL5501650 0.73 ALDH1A1 (0.45) ALDH1A1HSD17B10NPC1SMN1; SMN2RAB9A
Water SCHEMBL5430832 0.71 ALDH1A1 (0.43) ALDH1A1HSD17B10NPC1SMN1; SMN2RAB9A

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115304758-B Sulfur-containing polyester based on orcinol derivative, preparation and application 深圳万知达技术转移中心有限公司 2024-03-01 CN claimed
CN-115304758-A Sulfur-containing polyester based on orcinol derivatives, preparation and application 武汉科技大学 2022-11-08 CN claimed
CN-109485683-A Fluorine-containing serial avermectin derivatives of one kind and preparation method thereof 齐鲁晟华制药有限公司 2019-03-19 CN claimed
CN-115304758-B Sulfur-containing polyester based on orcinol derivative, preparation and application 深圳万知达技术转移中心有限公司 2024-03-01 CN disclosed
CN-113403021-B Composition slurry, preparation method thereof and film 宜昌奥马电子材料有限公司 2023-02-14 CN disclosed
CN-115304758-A Sulfur-containing polyester based on orcinol derivatives, preparation and application 武汉科技大学 2022-11-08 CN disclosed
CN-113403021-A Composition slurry, preparation method thereof and film 宜昌奥马电子材料有限公司 2021-09-17 CN disclosed
CN-109485683-A Fluorine-containing serial avermectin derivatives of one kind and preparation method thereof 齐鲁晟华制药有限公司 2019-03-19 CN disclosed
CN-103402987-A 6-Amino-2-phenylamino-1H-benzimidazole-5-carboxamide derivatives and their use as microsomal prostaglandin E2 synthase-1 inhibitors BOEHRINGER INGELHEIM INT 2013-11-20 CN disclosed
CN-102027611-B N-type semiconductor materials in thin film transistors EASTMAN KODAK CO 2013-03-06 CN disclosed
CN-102341395-A 3H-imidazo [4,5-c ] pyridine-6-carboxamides as anti-inflammatory agents BOEHRINGER INGELHEIM INT 2012-02-01 CN disclosed
WO-2007007919-A2 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-01-18 WO disclosed
EP-1734942-A1 SUBSTITUTED UREA AND CARBAMATE, PHENACYL-2-HYDROXY-3-DIAMINOALKANE, AND BENZAMIDE-2-HYDROXY-3-DIAMINOALKANE ASPARTYL-PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-27 EP disclosed
WO-2005087215-A1 SUBSTITUTED UREA AND CARBAMATE, PHENACYL-2-HYDROXY-3-DIAMINOALKANE, AND BENZAMIDE-2-HYDROXY-3-DIAMINOALKANE ASPARTYL-PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO disclosed
EP-0923562-B1 SUBSTITUTED P-TRIFLUOROMETHYLPHENYLURACILS BAYER AG (DE) 2002-10-09 EP disclosed
US-6444616-B1 HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2002-09-03 US disclosed
US-6130225-A Substituted p-trifluoromethylphenyluracils BAYER AKTIENGESELLSCHAFT (DE) 2000-10-10 US disclosed
EP-0923562-A1 SUBSTITUTED P-TRIFLUOROMETHYLPHENYLURACILS BAYER AG (DE) 1999-06-23 EP disclosed
WO-1998006706-A1 SUBSTITUTED P-TRIFLUOROMETHYLPHENYLURACILS BAYER AKTIENGESELLSCHAFT (DE) 1998-02-19 WO disclosed
CN-1037330-A PROPANAMINE DERIVATIVES LILLY CO ELI (US) 1989-11-22 CN disclosed