Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6993161

CCC/C=C1\CCCCc2sc(C(=N)N)cc21.O=C(O)C(F)(F)F

nearest known ligand 0.31

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Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
C1S P09871 3/20 0.31
ALDH1A1 P00352 3/20 0.31
PLAU P00749 1/20 0.31
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
GAA P10253 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 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 SCHEMBL6993165 1.00 C1S (0.31) C1SALDH1A1PLAUMEN1CYP1A2
Hydrochloric Acid SCHEMBL7972765 0.86 C1S (0.33) C1SPLAU
Hydrochloric Acid SCHEMBL7972762 0.86 C1S (0.33) C1SPLAU
SCHEMBL6989672 0.83 ALDH1A1 (0.36) ALDH1A1MEN1CYP1A2CYP3A4GAA
SCHEMBL6989675 0.83 ALDH1A1 (0.36) ALDH1A1MEN1CYP1A2CYP3A4GAA
SCHEMBL6997401 0.81 ALDH1A1 (0.48) ALDH1A1MEN1CYP1A2CYP3A4GAA
SCHEMBL6997398 0.81 ALDH1A1 (0.48) ALDH1A1MEN1CYP1A2CYP3A4GAA
SCHEMBL6994524 0.79 DAO (0.48) ALDH1A1MEN1CYP1A2CYP3A4GAA
SCHEMBL7974066 0.75 KMT2A (0.35) ALDH1A1MEN1GAAKMT2AHPGD
Hydrochloric Acid SCHEMBL6986195 0.74 KMT2A (0.35) ALDH1A1MEN1GAAKMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0927177-B1 NOVEL BENZOTHIOPHENE DERIVATIVES, THEIR PREPARATION AND USE AS UROKINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2003-11-26 EP disclosed
US-6274619-B1 FUSED AMIDINO TYPE COMPOUNDS SUCH AS 4-(N-BUTYLCARBAMOYLMETHYLIDENE)-2-AMIDINO-4,5,6,7-TETRAHYDROBE NZO(B)THIOPHENE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-14 US disclosed
US-6093710-A AN ENZYME INHIBITOR TREATING ANGIOGENESIS, ARTHRITIS, INFLAMMATION, METASTASIS, OSTEOPOROSIS, TUMORSANGIOGENESIS-DEPENDENT RETINOPATHIES, CONTRACEPTIVE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-25 US disclosed