Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3522640

O=C(NCC1CCNCC1)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.47
TSHR P16473 1/20 0.47
CHRM3 P20309 2/20 0.45
CHRM1 P11229 2/20 0.45
CHRM2 P08172 1/20 0.45
EPHX1 P07099 1/20 0.43
EPHX2 P34913 1/20 0.43
F2 P00734 2/20 0.43
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
KDM1A O60341 1/20 0.39
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
F2R P25116 1/20 0.37
SLC6A1 P30531 2/20 0.37
GABRA5 P31644 2/20 0.37

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
SCHEMBL2733865 0.95 ALOX15 (0.51) ALOX15TSHRCHRM3CHRM1CHRM2
Hydrochloric Acid SCHEMBL27189982 0.93 ALOX15 (0.50) ALOX15TSHRCHRM3CHRM1CHRM2
Trifluoroacetic Acid SCHEMBL4007510 0.85 ALOX15 (0.53) ALOX15TSHRCHRM3CHRM1CHRM2
SCHEMBL3451504 0.85 SLC6A1 (0.46) ALOX15TSHRCHRM3CHRM1CHRM2
SCHEMBL870123 0.85 SLC6A1 (0.46) ALOX15TSHRCHRM3CHRM1CHRM2
SCHEMBL870122 0.85 SLC6A1 (0.46) ALOX15TSHRCHRM3CHRM1CHRM2
Trifluoroacetic Acid SCHEMBL29891896 0.84 EPHX1 (0.49) ALOX15TSHRCHRM3CHRM1CHRM2
Hydrochloric Acid SCHEMBL2767309 0.83 SLC6A1 (0.44) ALOX15TSHRCHRM3CHRM1CHRM2
Hydrochloric Acid SCHEMBL2768568 0.83 SLC6A1 (0.44) ALOX15TSHRCHRM3CHRM1CHRM2
SCHEMBL9431190 0.82 TDP1 (0.52) EPHX1CKS1BSKP1SKP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101684091-A cannabinoid receptor ligands SCHERING CORP 2010-03-31 CN disclosed
US-7645774-B2 Cannabinoid receptor ligands SCHERING CORPORATION (US) 2010-01-12 US disclosed
CN-100567266-C Cannabinoid receptor ligands SCHERING CORP (US) 2009-12-09 CN disclosed
US-7071213-B2 Cannabinoid receptor ligands SCHERING CORPORATION (US) 2006-07-04 US disclosed
US-20050282861-A1 Cannabinoid receptor ligands MERCK SHARP & DOHME CORP. 2005-12-22 US disclosed
CN-1585749-A Cannabinoid receptor ligands SCHERING CORP (US) 2005-02-23 CN disclosed
EP-1444203-A1 CANNABINOID RECEPTOR LIGANDS Schering Corporation (US) 2004-08-11 EP disclosed
US-20040010013-A1 Piperidine derivatives used in treating cancer, inflammatory diseases, immunomodulatory diseases, or respiratory diseases SCHERING CORPORATION 2004-01-15 US disclosed
WO-2003042174-A1 CANNABINOID RECEPTOR LIGANDS SCHERING CORPORATION (US) 2003-05-22 WO 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 (2 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-20040010013-A1 Piperidine derivatives used in treating cancer, inflammatory diseases, immunomodulatory diseases, or respiratory diseases IL5, IL2, TLR1 ALOX15 903/4885TSHR 4120/4885CHRM3 1383/4885
US-20050282861-A1 Cannabinoid receptor ligands CNR1, CNR2, GPR18 ALOX15 695/4885TSHR 972/4885CHRM3 309/4885

“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.