SCHEMBL12017956

SCHEMBL12017956

O=C(CCC(=O)OC1CCCCC1)OCC(F)F

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 2/20 0.49
▸ CYP2C19 P33261 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ CYP19A1 P11511 3/20 0.39
▸ NOTUM Q6P988 1/20 0.38
▸ EPHX1 P07099 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ TSHR P16473 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.32

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
SCHEMBL258780 0.82 NAAA (0.66) NAAACYP2C19HTTLMNACYP19A1
SCHEMBL7568980 0.82 NAAA (0.66) NAAACYP2C19HTTLMNACYP19A1
SCHEMBL31069913 0.82 NAAA (0.66) NAAACYP2C19HTTLMNACYP19A1
SCHEMBL207015 0.80 NAAA (0.64) NAAACYP2C19HTTLMNACYP19A1
SCHEMBL27622660 0.78 NAAA (0.48) NAAACYP2C19HTTLMNACYP19A1
SCHEMBL30801440 0.78 NAAA (0.62) NAAACYP2C19HTTLMNACYP19A1
SCHEMBL31186842 0.78 NOTUM (0.46) LMNANOTUMALDH1A1TSHRKDM4E
SCHEMBL27514262 0.77 NAAA (0.62) NAAACYP2C19HTTLMNACYP19A1
SCHEMBL10344560 0.77 NAAA (0.40) NAAACYP2C19HTTLMNACYP19A1
SCHEMBL31302650 0.76 NAAA (0.59) NAAACYP2C19HTTLMNACYP19A1

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-20120219887-A1 CHEMICALLY AMPLIFIED NEGATIVE RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-08-30 — — US disclosed
EP-2105794-A1 Novel photoacid generator, resist composition, and patterning process Shin-Etsu Chemical Co., Ltd. (JP) 2009-09-30 — — EP disclosed
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