SCHEMBL25564668

SCHEMBL25564668

C=C(C)C(=O)OC1(c2ccc(OC(F)(F)F)cc2)CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.47
SLC6A3 Q01959 8/20 0.47
SLC6A2 P23975 2/20 0.47
ADORA3 P0DMS8 1/20 0.39
EPHX2 P34913 3/20 0.38
PDE2A O00408 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
EPHX1 P07099 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL25564670 0.91 ADORA3 (0.41) SLC6A4SLC6A3SLC6A2ADORA3PDE2A
SCHEMBL25564249 0.87 SLC6A4 (0.51) SLC6A4SLC6A3SLC6A2ADORA3EPHX2
SCHEMBL25564148 0.85 SLC6A4 (0.49) SLC6A4SLC6A3SLC6A2ADORA3EPHX2
SCHEMBL25564669 0.84 SLC6A4 (0.40) SLC6A4SLC6A3SLC6A2EPHX2PDE2A
SCHEMBL25564666 0.83 SLC6A3 (0.40) SLC6A4SLC6A3SLC6A2PDE2ACYP2C19
SCHEMBL25564667 0.82 HSD11B1 (0.43) SLC6A4SLC6A3SLC6A2ALDH1A1
SCHEMBL25564653 0.81 HSD11B1 (0.41) SLC6A4SLC6A3SLC6A2ALDH1A1
SCHEMBL10062521 0.81 CA1 (0.38) KDM4EALDH1A1POLB
SCHEMBL22017327 0.80 SMN1; SMN2 (0.37) SLC6A2ADORA3EPHX2EPHX1ALDH1A1
SCHEMBL17914408 0.80 HRH3 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230161254-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-25 US disclosed
US-20230161254-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-25 US disclosed