SCHEMBL3080153

SCHEMBL3080153

CCCC(C(=O)O)C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.48
CHRM1 P11229 1/20 0.48
AKR1A1 P14550 1/20 0.48
CHRM3 P20309 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
ADRA1A P35348 1/20 0.48
HRH1 P35367 1/20 0.48
DRD3 P35462 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
POLB P06746 2/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MMP8 P22894 1/20 0.40
ALOX15 P16050 1/20 0.39

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
SCHEMBL31610 0.90 TDP1 (0.47) TDP1CHRM1AKR1A1CHRM3HTR2A
Ammonia Solution, Strong SCHEMBL15710720 0.88 TDP1 (0.46) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL27321299 0.88 TDP1 (0.46) TDP1CHRM1AKR1A1CHRM3HTR2A
Hydrochloric Acid SCHEMBL27504364 0.88 TDP1 (0.46) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL1292730 0.86 TDP1 (0.50) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL27411448 0.86 HDAC1 (0.48) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL27324536 0.86 TDP1 (0.44) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL28168084 0.86 CHRM1 (0.48) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL11254664 0.85 ACE (0.40) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL28259406 0.85 GPR84 (0.50) TDP1MEN1KMT2AGRIK1SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112903832-B Method for detecting dipropylmalonic acid related impurities 四川科瑞德制药股份有限公司 2022-10-28 CN claimed
CN-112903832-A Method for detecting dipropylmalonic acid related impurities 四川科瑞德制药股份有限公司 2021-06-04 CN claimed
CN-105712901-A Method for synthesizing optically active intermediate N-tert-butoxycarbonyl-2-amino-8-nonenoic dicyclohexylamine salt 成都柏睿泰生物科技有限公司 2016-06-29 CN claimed
CN-118184508-A Method for preparing valproic acid by diethyl malonate method 湖南省湘中制药有限公司 2024-06-14 CN disclosed
CN-117430509-A Preparation and hydrolysis method of 2-alkyl-2-propyl malonic acid diester 湖南省湘中制药有限公司 2024-01-23 CN disclosed
CN-114832013-B Antibacterial substance and antibacterial gel for nourishing and repairing genital tract 朵博士健康科技(杭州)有限公司 2024-01-19 CN disclosed
CN-112903832-B Method for detecting dipropylmalonic acid related impurities 四川科瑞德制药股份有限公司 2022-10-28 CN disclosed
CN-114832013-A Antibacterial substance and antibacterial gel for nourishing and repairing reproductive tract 朵博士健康科技(杭州)有限公司 2022-08-02 CN disclosed
CN-112903832-A Method for detecting dipropylmalonic acid related impurities 四川科瑞德制药股份有限公司 2021-06-04 CN disclosed
EP-3377473-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX Pharmaceuticals, Inc. (US) 2018-09-26 EP disclosed
EP-2841418-B1 (3,4-DICHLORO-PHENYL)-((S)-3-PROPYL-PYRROLIDIN-3-YL)-METHANONE HYDROCHLORIDE AND MANUFACTURING PROCESSES HOFFMANN LA ROCHE (CH) 2017-03-08 EP disclosed
CN-1173170-A Matrix metalloprotease inhibitors SYNTEX INC (US) 1998-02-11 CN disclosed
EP-0726903-B1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX INC (US) 1997-07-16 EP disclosed
CN-1134153-A Matrix metalloprotease inhibitors SYNTEX INC (US) 1996-10-23 CN disclosed
EP-0726903-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX INC (US) 1996-08-21 EP disclosed
WO-1995012603-A1 MATRIX METALLOPROTEASE INHIBITORS________________________________ SYNTEX (U.S.A.) INC. (US) 1995-05-11 WO disclosed
CN-1017426-B Process for preparing alkyl melatonin LILLY CO ELI (US) 1992-07-15 CN disclosed
CN-88100478-A alkyl melatonin 1988-08-17 CN disclosed
EP-0025192-B1 SUBSTITUTED OXIRANE CARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION, THEIR USE AND MEDICINES CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1983-05-11 EP disclosed
US-3997682-A Oleaginous food flavored with certain alpha carboxy acids and/or esters thereof ANDERSON, CLAYTON & CO. (US) 1976-12-14 US disclosed