SCHEMBL2233286

SCHEMBL2233286

CCC(C(=O)O)(C(=O)O)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 2/20 0.33
FFAR3 O14843 1/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 2/20 0.32
TP53 P04637 1/20 0.32
ARG1 P05089 1/20 0.31
ARG2 P78540 1/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 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
SCHEMBL28315616 0.97 ALDH1A1 (0.32) ALDH1A1CYP1A2FFAR3MEN1THRB
SCHEMBL28315830 0.97 ALDH1A1 (0.32) ALDH1A1CYP1A2FFAR3MEN1THRB
SCHEMBL21268935 0.97 ALDH1A1 (0.32) ALDH1A1CYP1A2FFAR3MEN1THRB
SCHEMBL10907823 0.97 ALDH1A1 (0.32) ALDH1A1CYP1A2FFAR3MEN1THRB
SCHEMBL21269713 0.97 ALDH1A1 (0.32) ALDH1A1CYP1A2FFAR3MEN1THRB
SCHEMBL28315588 0.97 CYP1A2 (0.32) ALDH1A1CYP1A2FFAR3MEN1THRB
SCHEMBL28314749 0.95 MEN1 (0.31) ALDH1A1CYP1A2FFAR3MEN1THRB
SCHEMBL28314679 0.95 MEN1 (0.31) ALDH1A1CYP1A2FFAR3MEN1THRB
SCHEMBL28314632 0.95 MEN1 (0.31) ALDH1A1CYP1A2FFAR3MEN1THRB
Tetramethylammonium Ion SCHEMBL10907818 0.93 MEN1 (0.30) ALDH1A1CYP1A2MEN1THRBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110172019-B Metal salts of malonic acid as nucleating additives for crystalline thermoplastics 印度石油有限公司 2022-03-04 CN disclosed
EP-2348833-A2 LIQUID AQUEOUS CROP PROTECTION FORMULATIONS BASF SE (DE) 2011-08-03 EP disclosed
EP-2346322-A2 LIQUID PYRACLOSTROBIN-CONTAINING CROP PROTECTION FORMULATIONS BASF SE (DE) 2011-07-27 EP disclosed
WO-2010040835-A2 LIQUID PYRACLOSTROBIN-CONTAINING CROP PROTECTION FORMULATIONS BASF SE (DE) 2010-04-15 WO disclosed
WO-2010040834-A2 LIQUID AQUEOUS CROP PROTECTION FORMULATIONS BASF SE (DE) 2010-04-15 WO disclosed
CN-1195486-C Deodorants KAO CORP (JP) 2005-04-06 CN disclosed
US-6780403-B1 DEODORANT INCLUDING ORGANIC DIBASIC ACID AND/OR ALKALI METAL, AMMONIUM, ZINC OR ALUMINUM SALT; ACID HAS DIFFERENCE BETWEEN FIRST AND SECOND ACID DISSOCIATION INDICES OF 1.7 OR MORE AT 25 DEGREES C. AND SECOND DISSOCIATION INDEX IS FROM 6 TO 8 KAO CORPORATION (JP) 2004-08-24 US disclosed
EP-1414302-A1 7-AMINO TRIAZOLOPYRIMIDINES FOR CONTROLLING HARMFUL FUNGI BASF AKTIENGESELLSCHAFT (DE) 2004-05-06 EP disclosed
WO-2003009687-A1 7-AMINO TRIAZOLOPYRIMIDINES FOR CONTROLLING HARMFUL FUNGI BASF AKTIENGESELLSCHAFT (DE) 2003-02-06 WO disclosed
CN-1365270-A Deodorant agent KAO CORP (JP) 2002-08-21 CN disclosed
EP-0739907-B1 An olefin polymerization catalyst and a polyolefin production method TOKUYAMA CORP (JP) 1999-12-01 EP disclosed
EP-0739907-A1 An olefin polymerization catalyst and a polyolefin production method TOKUYAMA CORPORATION (JP) 1996-10-30 EP disclosed
EP-0484865-B1 Fiber optic potassium ion sensor HEWLETT PACKARD CO (US) 1996-09-25 EP disclosed
US-5462989-A Fiber optic potassium ion sensor SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 1995-10-31 US disclosed
EP-0645458-A1 Chemoenzymatic process for production of S fenpropimorph CAFFARO S.p.A. Società per l'Industria Chimica ed Elettrochimica (IT) 1995-03-29 EP disclosed
EP-0645458-A1 Chemoenzymatic process for production of S fenpropimorph CAFFARO S.p.A. Società per l'Industria Chimica ed Elettrochimica (IT) 1995-03-29 EP disclosed
US-5154890-A FIBER OPTIC POTASSIUM ION SENSOR HEWLETT-PACKARD COMPANY (US) 1992-10-13 US disclosed
EP-0484865-A2 Fiber optic potassium ion sensor Hewlett-Packard Company (US) 1992-05-13 EP disclosed
US-4632785-A CARBOXYLIC ACID AMINE SALT; STORAGE STABILITY OF ISOCYANATE PREMIXES THE DOW CHEMICAL COMPANY (US) 1986-12-30 US disclosed
US-4540781-A Product and process trimerization of organic isocyanates THE UPJOHN COMPANY (US) 1985-09-10 US disclosed