SCHEMBL8905925

SCHEMBL8905925

CCN(CC)CC.O=C(OC(=O)C(F)(F)F)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPIP5K2 O43314 1/20 0.35
MLYCD O95822 1/20 0.33
FAAH O00519 8/20 0.32
CHRM2 P08172 4/20 0.32
CHRM1 P11229 3/20 0.32
CHRM3 P20309 3/20 0.32
CHRM4 P08173 2/20 0.32
CHRM5 P08912 2/20 0.32
CES2 O00748 3/20 0.31
CES1 P23141 5/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CYP1A2 P05177 1/20 0.31
HSD17B10 Q99714 1/20 0.31
POLB P06746 1/20 0.31

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
Dimethyl Sulfoxide SCHEMBL9877938 0.90 PPIP5K2 (0.31) PPIP5K2
SCHEMBL11564478 0.89 ALDH1A1 (0.36) PPIP5K2MLYCDCHRM2CHRM1CHRM3
SCHEMBL16389943 0.83 ALDH1A1 (0.40) FAAHCES2CES1MEN1KMT2A
SCHEMBL1432241 0.83 OPRK1 (0.35) MLYCD
SCHEMBL8048547 0.82 TSHR (0.39) MEN1KMT2AHSD17B10POLB
SCHEMBL4485811 0.80 ALDH1A1 (0.36) FAAHCES2CES1MEN1KMT2A
Ethane SCHEMBL23013321 0.79 CES2 (0.33) CES2
Methyl Alcohol SCHEMBL7718124 0.79 CA2 (0.32)
Chloromethane SCHEMBL28080031 0.79 CA2 (0.32)
SCHEMBL52 0.79 CA2 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114920934-B Preparation method and application of photosensitive polyimide resin 深圳职业技术学院 2024-03-22 CN claimed
CN-114214375-B Process for the preparation of (R) -3- (4-halo-1H-pyrazol-1-yl) -3-cyclopentylpropionate 江苏威凯尔医药科技有限公司 2024-03-19 CN claimed
CN-116854768-A Preparation method of Nemactetvir and intermediate thereof 浙江九洲药业股份有限公司 2023-10-10 CN claimed
WO-2023125373-A1 METHOD FOR PREPARING RUXOLITINIB AND INTERMEDIATE THEREOF 江苏威凯尔医药科技有限公司 2023-07-06 WO claimed
CN-114920934-A Preparation method and application of photosensitive polyimide resin 深圳职业技术学院 2022-08-19 CN claimed
CN-114835589-A Preparation method of 2,4-difluoro-3,5-dichloroaniline 河南金鹏化工有限公司 2022-08-02 CN claimed
CN-114214375-A Preparation method of (R) -3- (4-halo-1H-pyrazol-1-yl) -3-cyclopentyl propionate 江苏威凯尔医药科技有限公司 2022-03-22 CN claimed
CN-109879805-B Preparation method of apatinib 苏州富士莱医药股份有限公司 2020-08-07 CN claimed
CN-109879805-A A Pa replaces the preparation method of Buddhist nun 苏州富士莱医药股份有限公司 2019-06-14 CN claimed
CN-104370749-B The preparation method of 2-cyclopropylethyI amine ALCHEM PHARMTECH, INC. (CN) 2016-03-02 CN claimed
CN-104370749-A Preparation method of 2-cyclopropyl ethylamine SUZHOU ALCHEM PHARMTECH INC 2015-02-25 CN claimed
CN-102311417-B Method for preparing benzodihydropyran compound CHENGDU HONGDA PHARMACEUTICAL CO LTD 2013-09-18 CN claimed
CN-102311417-A Method for preparing benzodihydropyran compound CHENGDU HONGDA PHARMACEUTICAL CO LTD 2012-01-11 CN claimed
CN-118271355-A Polyimide precursor, polyimide and application thereof 深圳先进电子材料国际创新研究院 2024-07-02 CN disclosed
CN-114920934-B Preparation method and application of photosensitive polyimide resin 深圳职业技术学院 2024-03-22 CN disclosed
CN-114214375-B Process for the preparation of (R) -3- (4-halo-1H-pyrazol-1-yl) -3-cyclopentylpropionate 江苏威凯尔医药科技有限公司 2024-03-19 CN disclosed
US-4470971-A HYPOTENSIVE AGENTS, HYPERALDOSTERONISM MERCK & CO., INC. (US) 1984-09-11 US disclosed
US-4162319-A ANTHELMINTICS, PSYCHOTROPIC, CNS, HYPOGLYCOMIC AGENTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1979-07-24 US disclosed
US-4120961-A ANTIHELMINTICS, CNS ACITVITY E. MERCK (DE) 1978-10-17 US disclosed
US-4051243-A RING SUBSTITUTED PYRAZINO-ISOQUINOLINE DERIVATIVES AND THEIR PREPARATION MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-09-27 US disclosed