Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1704549

Fc1cc2nc(SCCN3CCNCC3)[nH]c2cc1F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
TSHR P16473 1/20 0.49
OPRL1 P41146 12/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TNKS O95271 1/20 0.42
PARP1 P09874 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
KDM4E B2RXH2 1/20 0.40
SOAT1 P35610 1/20 0.40
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39

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
SCHEMBL5397952 0.90 ALDH1A1 (0.58) ALDH1A1TSHROPRL1RAB9ANPC1
Trifluoroacetic Acid SCHEMBL5384259 0.88 ALDH1A1 (0.45) ALDH1A1TSHROPRL1RAB9ANPC1
Trifluoroacetic Acid SCHEMBL5384262 0.88 ALDH1A1 (0.45) ALDH1A1TSHROPRL1RAB9ANPC1
Trifluoroacetic Acid SCHEMBL6282185 0.84 RAB9A (0.60) ALDH1A1TSHRRAB9ANPC1SMN1; SMN2
SCHEMBL14502993 0.81 ALDH1A1 (0.67) ALDH1A1TSHROPRL1RAB9ANPC1
SCHEMBL5387405 0.77 ALDH1A1 (0.57) ALDH1A1TSHROPRL1RAB9ANPC1
SCHEMBL1705553 0.77 ALDH1A1 (0.52) ALDH1A1TSHROPRL1RAB9ANPC1
SCHEMBL5381243 0.77 ALDH1A1 (0.53) ALDH1A1TSHROPRL1RAB9ANPC1
SCHEMBL5381229 0.77 ALDH1A1 (0.53) ALDH1A1TSHROPRL1RAB9ANPC1
SCHEMBL1705217 0.73 ALDH1A1 (0.37) ALDH1A1TSHROPRL1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518936-B2 Method for preparing acid addition salts of polyacidic basic compounds KOWA CO., LTD. (JP) 2013-08-27 US disclosed
EP-1642899-B1 2,4-BIS(TRIFLUOROETHOXY)PYRIDINE COMPOUND AND MEDICINE CONTAINING THE SAME KOWA CO (JP) 2012-08-15 EP disclosed
EP-1598346-B1 PROCESS FOR PRODUCING ACID ADDUCT SALT OF POLYACIDIC BASE COMPOUND KOWA CO (JP) 2012-04-18 EP disclosed
US-20100234599-A1 METHOD FOR PREPARING ACID ADDITION SALTS OF POLYACIDIC BASIC COMPOUNDS KOWA CO., LTD. (JP) 2010-09-16 US disclosed
US-7750150-B2 Process for producing acid adduct salt of polyacidic base compound KOWA CO., LTD. (JP) 2010-07-06 US disclosed
US-7223764-B2 2,4-bis (trifluoroethoxy)pyridine compound and drug containing the compound KOWA CO., LTD. (JP) 2007-05-29 US disclosed
US-20060079688-A1 Process for producing acid adduct salt of polyacidic base compound KOWA CO., LTD. (JP) 2006-04-13 US disclosed
EP-1642899-A1 2,4-BIS(TRIFLUOROETHOXY)PYRIDINE COMPOUND AND MEDICINE CONTAINING THE SAME Kowa Co., Ltd. (JP) 2006-04-05 EP disclosed
EP-1598346-A1 PROCESS FOR PRODUCING ACID ADDUCT SALT OF POLYACIDIC BASE COMPOUND Kowa Co., Ltd. (JP) 2005-11-23 EP disclosed
US-20050020606-A1 2,4-Bis (trifluoroethoxy)pyridine compound and drug containing the compound KOWA CO., LTD. (JP) 2005-01-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100234599-A1 METHOD FOR PREPARING ACID ADDITION SALTS OF POLYACIDIC BASIC COMPOUNDS PGA5, NAAA, CA6 ALDH1A1 1557/4885TSHR 4702/4885OPRL1 3977/4885
US-20060079688-A1 Process for producing acid adduct salt of polyacidic base compound CA5B, ASIC1, NAAA ALDH1A1 1334/4885TSHR 4829/4885OPRL1 3599/4885
US-20050020606-A1 2,4-Bis (trifluoroethoxy)pyridine compound and drug containing the compound ACAT2, ACAT1, CYP7A1 ALDH1A1 586/4885TSHR 3355/4885OPRL1 4402/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.