SCHEMBL5164928

SCHEMBL5164928

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

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
TSHR P16473 4/20 0.38
THRB P10828 1/20 0.35
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 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
Itaconate SCHEMBL8660291 0.85 ALOX15 (0.49) ALDH1A1HSD17B10
SCHEMBL10892438 0.82
SCHEMBL775871 0.79
Acetic Acid SCHEMBL775872 0.79 FFAR3 (0.35) ALDH1A1TSHRHSD17B10TDP1LMNA
SCHEMBL11544588 0.79 ALDH1A1 (0.40) ALDH1A1TSHRTHRBHSD17B10TDP1
SCHEMBL18309378 0.79 ALDH1A1 (0.57) ALDH1A1TSHRTHRBHSD17B10TDP1
SCHEMBL252925 0.78 HTT (0.35) ALDH1A1TSHRLMNA
SCHEMBL2359376 0.78 THRB (0.53) ALDH1A1TSHRTHRBHSD17B10TDP1
SCHEMBL29034657 0.77 ALDH1A1 (0.48) ALDH1A1TSHRHSD17B10TDP1LMNA
Ethylene SCHEMBL9240041 0.77 ALDH1A1 (0.41) ALDH1A1TSHRHSD17B10TDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105845902-A Method for preparing lithium-manganese-niobium composite oxide positive electrode material for lithium-ion battery by fusion method 济宁市无界科技有限公司 2016-08-10 CN claimed
CN-105845902-A Method for preparing lithium-manganese-niobium composite oxide positive electrode material for lithium-ion battery by fusion method 济宁市无界科技有限公司 2016-08-10 CN disclosed
US-20070076072-A1 Ink composition for ink jet recording and method for producing planographic printing plate using the same FUJI PHOTO FILM CO., LTD. 2007-04-05 US disclosed
EP-1770131-A1 Ink composition for ink jet recording and method for producing planographic printing plate using the same FUJIFILM Corporation (JP) 2007-04-04 EP disclosed
CN-1210691-C Machine-readable optical disc with reading-inhibit agent QUIXOTE CORP (US) 2005-07-13 CN disclosed
CN-1612905-A Free radical retrograde precipitation copolymers and methods of making the same NAT STARCH CHEM INVEST (US) 2005-05-04 CN disclosed
CN-1246195-A Machine-readable optical disc with reading-inhibit agent QUIXOTE CORP (US) 2000-03-01 CN disclosed