SCHEMBL25564161

SCHEMBL25564161

CC(=O)OC1(c2cccc(OC(F)(F)F)c2)CCCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
SLC6A9 P48067 2/20 0.39
SLC6A2 P23975 6/20 0.39
GALR1 P47211 1/20 0.38
OPRL1 P41146 1/20 0.38
EPHX2 P34913 1/20 0.38
ICMT O60725 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
NOTUM Q6P988 1/20 0.38
TGM2 P21980 1/20 0.38

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
SCHEMBL25564266 0.99 HDAC3 (0.43) HDAC3HDAC1HDAC2HDAC6TAS1R3
SCHEMBL25564153 0.86 SLC6A4 (0.37) HDAC3HDAC1HDAC2HDAC6SLC6A2
SCHEMBL25564261 0.85 SLC6A4 (0.39) HDAC3HDAC1HDAC2HDAC6SLC6A9
SCHEMBL25564148 0.83 SLC6A4 (0.49) SLC6A2EPHX2TGM2
SCHEMBL25564249 0.82 SLC6A4 (0.51) SLC6A9SLC6A2EPHX2
SCHEMBL25564143 0.81 CCR2 (0.49) HDAC3HDAC1HDAC2HDAC6SLC6A2
SCHEMBL25564156 0.80 TSHR (0.40) SLC6A9SLC6A2EPHX2
SCHEMBL25564243 0.80 SLC6A4 (0.50) SLC6A2OPRL1
SCHEMBL25564138 0.79 SLC6A4 (0.44) HDAC3HDAC1HDAC2HDAC6SLC6A2
SCHEMBL25564306 0.78 SLC6A4 (0.47) HDAC3HDAC1HDAC2HDAC6SLC6A2

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
US-20230367213-A1 MASK BLANK, RESIST PATTERN FORMING PROCESS AND CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-11-16 US disclosed
US-20230194986-A1 CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION AND RESIST PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-06-22 US disclosed
US-20230161254-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-25 US disclosed