Sugi Predict

Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6986131

CC(C)C[C@@H](C(=O)NN)[C@H](C(=O)NO)C(/C=C/c1ccccc1)(CC(C)C)C(=O)[C@H](N)CCC(=O)O.O=C(O)C(F)(F)F

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 5/20 0.34
▸ MMP1 P03956 8/20 0.33
▸ MMP2 P08253 8/20 0.33
▸ MMP3 P08254 8/20 0.33
▸ MMP7 P09237 5/20 0.32
▸ FCER2 P06734 4/20 0.32
▸ MMP8 P22894 2/20 0.32
▸ MMP9 P14780 2/20 0.32
▸ MMP14 P50281 2/20 0.32
▸ MMP12 P39900 1/20 0.32
▸ MMP13 P45452 1/20 0.32
▸ PTPN1 P18031 1/20 0.31
▸ LTA4H P09960 1/20 0.30
▸ ANPEP P15144 1/20 0.30

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 SCHEMBL6985839 0.92 ADAM17 (0.35) ADAM17MMP1MMP2MMP3MMP7
Hydrochloric Acid SCHEMBL6986403 0.87 ADAM17 (0.38) ADAM17MMP1MMP2MMP3MMP7
Hydrochloric Acid SCHEMBL6984713 0.87 ADAM17 (0.38) ADAM17MMP1MMP2MMP3MMP7
SCHEMBL7812013 0.86 ADAM17 (0.36) ADAM17MMP1MMP2MMP3MMP7
SCHEMBL7814908 0.86 ADAM17 (0.36) ADAM17MMP1MMP2MMP3MMP7
Hydrochloric Acid SCHEMBL6984476 0.86 ADAM17 (0.35) ADAM17MMP1MMP2MMP3MMP7
Hydrochloric Acid SCHEMBL6984681 0.86 ADAM17 (0.35) ADAM17MMP1MMP2MMP3MMP7
Hydrochloric Acid SCHEMBL6986535 0.85 ADAM17 (0.37) ADAM17MMP1MMP2MMP3MMP7
SCHEMBL6981614 0.85 ADAM17 (0.39) ADAM17MMP1MMP2MMP3MMP7
Hydrochloric Acid SCHEMBL6986445 0.84 ADAM17 (0.39) ADAM17MMP1MMP2MMP3MMP7

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-1089964-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-10-29 — — EP disclosed
US-6239151-B1 TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES, OSTEOARTHRITIS, RESPIRATORY DISEASES, TUMORS, CACHEXIA, CARDIOVASCULAR DISEASES, FEVER, HAEMORRHAGE AND SEPSIS, HYDRAZINE DERIVATIVES, HOFFMANN-LA ROCHE INC. 2001-05-29 — — US disclosed
EP-1089964-A1 HYDRAZINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2001-04-11 — — EP disclosed
WO-2000000465-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-01-06 — — WO disclosed