Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7956355

Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)N4CCC[C@H]4C(=O)NCCNC(=N)N)c3Cl)c2n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 6/20 0.62
RORC P51449 14/20 0.61
BDKRB1 P46663 1/20 0.54

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
SCHEMBL7815230 0.95 BDKRB2 (0.67) BDKRB2RORCBDKRB1
SCHEMBL7812594 0.93 BDKRB2 (0.69) BDKRB2RORCBDKRB1
SCHEMBL7818085 0.93 BDKRB2 (0.71) BDKRB2RORCBDKRB1
Hydrochloric Acid SCHEMBL7945807 0.92 BDKRB2 (0.68) BDKRB2RORCBDKRB1
Hydrochloric Acid SCHEMBL7956336 0.92 BDKRB2 (0.70) BDKRB2RORCBDKRB1
Trifluoroacetic Acid SCHEMBL7954842 0.91 RORC (0.58) BDKRB2RORC
SCHEMBL7805147 0.88 BDKRB2 (0.64) BDKRB2RORCBDKRB1
SCHEMBL7811197 0.88 BDKRB2 (0.63) BDKRB2RORCBDKRB1
Hydrochloric Acid SCHEMBL7954320 0.87 BDKRB2 (0.62) BDKRB2RORCBDKRB1
SCHEMBL7805546 0.87 RORC (0.65) BDKRB2RORCBDKRB1

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
US-6211181-B1 ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIALLERGENS, AND ANTIASTHMATICS FOURNIER INDUSTRIE ET SANTE (FR) 2001-04-03 US disclosed