SCHEMBL5252175

SCHEMBL5252175

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.49
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.43
ATM Q13315 1/20 0.41
NAAA Q02083 1/20 0.40
HCAR2 Q8TDS4 1/20 0.37
GPR84 Q9NQS5 3/20 0.36
FFAR1 O14842 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RAD52 P43351 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
EPHX1 P07099 1/20 0.34

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
SCHEMBL10954723 0.93 TSHR (0.59) TSHRNAAAHCAR2GPR84FFAR1
SCHEMBL6685907 0.90 TSHR (0.46) TSHRALDH1A1HPGDATMNAAA
SCHEMBL5084328 0.89 TSHR (0.39) TSHRALDH1A1NAAAHCAR2GPR84
SCHEMBL9352894 0.88 TSHR (0.45) TSHRALDH1A1HPGDATMNAAA
SCHEMBL27457194 0.86 TSHR (0.59) TSHRNAAAHCAR2GPR84FFAR1
SCHEMBL27480727 0.86 TSHR (0.59) TSHRNAAAHCAR2GPR84FFAR1
SCHEMBL21638809 0.86 TSHR (0.59) TSHRNAAAHCAR2GPR84FFAR1
SCHEMBL27471248 0.86 TSHR (0.59) TSHRNAAAHCAR2GPR84FFAR1
SCHEMBL6684035 0.85 TSHR (0.46) TSHRALDH1A1HPGDATMNAAA
SCHEMBL6676093 0.83 TSHR (0.51) TSHRNAAAGPR84FFAR1RAD52

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-110520537-A Method for generating methyl methacrylate LUCITE INT UK LTD 2019-11-29 CN disclosed
CN-106732452-B A kind of modified macroporous resin and its method for handling butyl acrylate waste water 万华化学集团股份有限公司 2019-04-23 CN disclosed
CN-106732452-A A kind of modified macroporous resin and its method for processing butyl acrylate waste water 万华化学集团股份有限公司 2017-05-31 CN disclosed
EP-1832571-A1 Process for producing hydroxyl group-containing vinyl compound FUJIFILM Corporation (JP) 2007-09-12 EP disclosed
CN-101029004-A Process for producing hydroxyl group-containing vinyl compound FUJIFILM CORP (JP) 2007-09-05 CN disclosed
US-6417392-B1 CATALYTIC ESTER INTERCHANGE OF ALKYL (METH)ACRYLATE AND ALKYLAMINO ALCOHOL; DISTILLATION OF ALKYL ALCOHOL BY-PRODUCT IN AZEOTROPIC MIXTURE WITH ALKYL (METH)ACRYLATE; PURIFICATION USING ION EXCHANGE RESIN NIPPON SHOKUBAI CO., LTD. (JP) 2002-07-09 US disclosed
US-4526932-A Copolymer containing N-coordinated triorganotin compound NITTO KASEI CO., LTD. (JP) 1985-07-02 US disclosed