SCHEMBL22986740

SCHEMBL22986740

O=C(O)C(I)C(=O)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GRM2 Q14416 1/20 0.35
HSD11B1 P28845 3/20 0.33
HPGD P15428 1/20 0.33
EPHX1 P07099 2/20 0.32
SRD5A2 P31213 1/20 0.32
RECQL P46063 1/20 0.32
LMNA P02545 1/20 0.32
HSD11B2 P80365 1/20 0.31
SLC1A3 P43003 2/20 0.31
SLC1A2 P43004 2/20 0.31
SLC1A1 P43005 2/20 0.31

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
SCHEMBL22986742 0.98 CES2 (0.40) CES2CES1HDAC8HDAC6TSHR
SCHEMBL2005030 0.73 CES2 (0.43) CES2CES1HDAC8HDAC6TSHR
SCHEMBL3495827 0.73 CES2 (0.44) CES2CES1HDAC8HDAC6TSHR
SCHEMBL24520292 0.73 CES2 (0.44) CES2CES1HDAC8HDAC6TSHR
SCHEMBL17351371 0.70 CES2 (0.40) CES2CES1HDAC8HDAC6TSHR
SCHEMBL8127287 0.70 CES2 (0.41) CES2CES1HDAC8HDAC6TSHR
SCHEMBL4938309 0.69 CES2 (0.38) CES2CES1HDAC8HDAC6TSHR
SCHEMBL16674533 0.69 CES2 (0.50) CES2CES1HDAC8HDAC6TSHR
SCHEMBL11714520 0.69 CES2 (0.50) CES2CES1HDAC8HDAC6TSHR
SCHEMBL2600359 0.69 CES2 (0.50) CES2CES1HDAC8HDAC6TSHR

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-20240027902-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-01-25 US disclosed
US-11720020-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-08-08 US disclosed
US-20210048746-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-02-18 US disclosed