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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL100923

C[Si](C)(C)CCOCN1C=NC(c2cnn(C(CC3CC3)C3CCCC3)c2)c2cc[nH]c21.O=C(O)C(F)(F)F

nearest known ligand 0.34

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 2/20 0.34
▸ JAK1 P23458 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
Trifluoroacetic Acid SCHEMBL100924 0.78 JAK1 (0.35) DGAT1JAK1
Trifluoroacetic Acid SCHEMBL100922 0.73 JAK2 (0.42) JAK1
Trifluoroacetic Acid SCHEMBL101064 0.70 JAK1 (0.38) DGAT1JAK1
Trifluoroacetic Acid SCHEMBL101065 0.65 JAK1 (0.32) JAK1
Trifluoroacetic Acid SCHEMBL101063 0.65 JAK2 (0.64) JAK1
Trifluoroacetic Acid SCHEMBL27929273 0.64 JAK2 (0.48) JAK1
Trifluoroacetic Acid SCHEMBL3452095 0.62 JAK2 (0.33) JAK1
SCHEMBL2184556 0.62 JAK1 (0.30) JAK1
Trifluoroacetic Acid SCHEMBL3452093 0.62 JAK1 (0.39) JAK1
Trifluoroacetic Acid SCHEMBL101747 0.58 JAK2 (0.65) JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2474545-A1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors Incyte Corporation (US) 2012-07-11 — — EP disclosed
EP-2426129-A1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors Incyte Corporation (US) 2012-03-07 — — EP disclosed
EP-2343299-A1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors Incyte Corporation (US) 2011-07-13 — — EP disclosed
EP-2343298-A1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors Incyte Corporation (US) 2011-07-13 — — EP disclosed