Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL28907388

NCCOCC(=O)Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 16/20 0.53
▸ BRD4 O60885 5/20 0.51
▸ HDAC3 O15379 1/20 0.51
▸ HDAC1 Q13547 1/20 0.51
▸ IKZF1 Q13422 2/20 0.50
▸ IKZF3 Q9UKT9 2/20 0.50
▸ TNF P01375 1/20 0.50
▸ IL1B P01584 1/20 0.50
▸ DDB1 Q16531 1/20 0.50
▸ MAP1LC3B Q9GZQ8 2/20 0.49
▸ RIPK2 O43353 1/20 0.48
▸ CSNK1A1 P48729 1/20 0.48

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
SCHEMBL24778362 0.94 CRBN (0.57) CRBNBRD4HDAC3HDAC1IKZF1
Hydrochloric Acid SCHEMBL31065058 0.94 CRBN (0.56) CRBNBRD4HDAC3HDAC1IKZF1
Hydrochloric Acid SCHEMBL23037363 0.94 CRBN (0.56) CRBNBRD4HDAC3HDAC1IKZF1
SCHEMBL20913681 0.93 CRBN (0.55) CRBNBRD4HDAC3HDAC1IKZF1
SCHEMBL23772826 0.93 CRBN (0.55) CRBNBRD4HDAC3HDAC1IKZF1
SCHEMBL17821424 0.93 CRBN (0.55) CRBNBRD4HDAC3HDAC1IKZF1
Trifluoroacetic Acid SCHEMBL30045679 0.88 CRBN (0.55) CRBNBRD4HDAC3HDAC1IKZF1
SCHEMBL25031475 0.87 CRBN (0.52) CRBNBRD4HDAC3HDAC1IKZF1
Trifluoroacetic Acid SCHEMBL17873758 0.87 CRBN (0.54) CRBNBRD4HDAC3HDAC1IKZF1
Trifluoroacetic Acid SCHEMBL29922473 0.87 CRBN (0.54) CRBNBRD4HDAC3HDAC1IKZF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115433257-A Imidazopyridazine bifunctional PROTAC molecular compound and preparation and application thereof 广西大学 2022-12-06 — — CN disclosed
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