SCHEMBL17300321

SCHEMBL17300321

C=CC(=O)OC(CC(C)C)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33

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
SCHEMBL8665340 0.83 TSHR (0.35) TSHR
SCHEMBL23963405 0.82 TSHR (0.42) TSHR
SCHEMBL19878959 0.80 LMNA (0.34) TSHRCA1CA2MMP1MMP2
SCHEMBL1263586 0.80 TSHR (0.37) TSHR
SCHEMBL17297569 0.79 TSHR (0.40) TSHRCA1CA2MMP1MMP2
SCHEMBL28557962 0.77 TSHR (0.33) TSHR
SCHEMBL28438448 0.77 TSHR (0.33) TSHR
SCHEMBL2945785 0.77 TSHR (0.35) TSHR
SCHEMBL4396356 0.76 TSHR (0.36) TSHR
SCHEMBL9872974 0.76 TSHR (0.36) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2950143-B1 RESIST COMPOSITION AND PATTERNING PROCESS SHINETSU CHEMICAL CO (JP) 2016-07-20 EP disclosed
US-20150346600-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-12-03 US disclosed
US-20150346600-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-12-03 US disclosed