Sugi Predict

Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL29939617

O=C(O)C(F)(F)F.O=C(O)c1ccc(OCC2(F)CCN(Cc3cc(C(F)(F)F)ccc3C3CC3)CC2)cc1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SSTR5 P35346 10/20 0.58
▸ FFAR1 O14842 4/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ SCN9A Q15858 2/20 0.44
▸ MGLL Q99685 1/20 0.43
▸ SRD5A2 P31213 1/20 0.42
▸ MRGPRX4 Q96LA9 1/20 0.41
▸ NR4A2 P43354 1/20 0.40

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
SCHEMBL29940236 0.84 SSTR5 (0.59) SSTR5KCNH2
SCHEMBL28336722 0.79 SCN9A (0.54) SSTR5FFAR1KCNH2SCN9ASRD5A2
Trifluoroacetic Acid SCHEMBL29940320 0.77 SSTR5 (0.79) SSTR5KCNH2
Trifluoroacetic Acid SCHEMBL29940225 0.76 SSTR5 (0.54) SSTR5FFAR1KCNH2SCN9AMRGPRX4
SCHEMBL28338275 0.75 SCN9A (0.66) SSTR5FFAR1KCNH2SCN9AMRGPRX4
SCHEMBL14956935 0.73 SSTR5 (1.00) SSTR5
SCHEMBL12182451 0.73 SSTR5 (0.64) SSTR5MGLL
SCHEMBL17422990 0.73 SCN9A (0.66) SSTR5FFAR1SCN9AMRGPRX4
Trifluoroacetic Acid SCHEMBL29940329 0.73 SSTR5 (0.69) SSTR5KCNH2
SCHEMBL17423165 0.72 SCN9A (0.66) SSTR5FFAR1SCN9AMGLLMRGPRX4

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-115215787-A Somatostatin receptor 5 antagonists and uses thereof 中国科学院上海药物研究所 2022-10-21 — — CN disclosed