SCHEMBL6904784

SCHEMBL6904784

CCOC(=O)C(C(=O)OCC)c1cc(F)c(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.44
MMP8 P22894 1/20 0.39
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
PIN1 Q13526 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
NPC1 O15118 2/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 2/20 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
SCHEMBL1644990 0.91 RORC (0.39) RORCMMP8CA12CA1CA2
SCHEMBL13532052 0.86 RORC (0.41) RORCMMP8MEN1KMT2ANPC1
SCHEMBL925433 0.86 RORC (0.41) RORCMMP8MEN1KMT2AHPGD
SCHEMBL5593182 0.85 RORC (0.43) RORCMEN1KMT2AALDH1A1LMNA
SCHEMBL5084280 0.84 PTGS1 (0.38) RORCCA12CA1CA2CA7
SCHEMBL5084277 0.84 PTGS1 (0.38) RORCCA12CA1CA2CA7
SCHEMBL13532049 0.81 MAPT (0.45) RORCMEN1KMT2ANPC1HPGD
SCHEMBL5747385 0.81 MMP8 (0.43) RORCMMP8MEN1KMT2ANPC1
SCHEMBL9366709 0.81 MAPT (0.49) RORCMMP8MEN1KMT2ANPC1
SCHEMBL13532054 0.79 KMT2A (0.38) RORCMEN1KMT2ANPC1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103012111-A Preparation method 2,4,5-trifluorophenylacetic acid UNIV QUZHOU 2013-04-03 CN claimed
CN-115246762-A Preparation method of 2,4,5-trifluorophenylacetic acid 上海朴颐化学科技有限公司 2022-10-28 CN disclosed
CN-110642696-A Synthetic method of 2,4, 5-trifluorophenylacetic acid 胡婷 2020-01-03 CN disclosed
CN-107673951-A A kind of high efficiency preparation method of 2,4,5 trifluoro benzene acetic acid 河南师范大学 2018-02-09 CN disclosed
CN-107522609-A A kind of novel method for synthesizing of 2,4,5 trifluoro benzene acetic acid 河南师范大学 2017-12-29 CN disclosed
CN-103012111-B A kind of preparation method of 2,4,5-trifluoro benzene acetic acid QUZHOU UNIVERSITY (CN) 2016-01-13 CN disclosed
CN-103012111-A Preparation method 2,4,5-trifluorophenylacetic acid UNIV QUZHOU 2013-04-03 CN disclosed
CN-1197841-C Process for producing halogenated phenyl malonic ester AMERICAN CYANAMID CO (US) 2005-04-20 CN disclosed
EP-1002788-B1 Process for preparing halogenated phenylmalonates BASF AG (DE) 2004-03-10 EP disclosed
US-6156925-A Process for the preparation of halogenated phenylmaloates AMERICAN CYANAMID COMPANY (US) 2000-12-05 US disclosed
EP-1002788-A1 Process for preparing halogenated phenylmalonates American Cyanamid Company (US) 2000-05-24 EP disclosed
CN-1250044-A Process for producing halogenated phenyl malonic ester AMERICAN CYANAMID CO (US) 2000-04-12 CN disclosed