Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5553257

NCCNC(=O)OCc1cccc2c1Cc1ccccc1-2.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.45
▸ HTT P42858 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ EPHX1 P07099 2/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ ESR1 P03372 2/20 0.35
▸ ESR2 Q92731 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HTR7 P34969 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ DPP8 Q6V1X1 1/20 0.34
▸ DPP7 Q9UHL4 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ TGM2 P21980 1/20 0.33

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
SCHEMBL5553226 0.92 PNMT (0.52) PNMTHTTNPC1RAB9AEPHX1
SCHEMBL30272577 0.92 PNMT (0.52) PNMTHTTNPC1RAB9AEPHX1
Hydrochloric Acid SCHEMBL25194566 0.91 PNMT (0.51) PNMTHTTNPC1RAB9AEPHX1
Bromide SCHEMBL15676440 0.91 PNMT (0.51) PNMTHTTNPC1RAB9AEPHX1
Hydrochloric Acid SCHEMBL31587774 0.85 PNMT (0.49) PNMTHTTNPC1RAB9AEPHX1
SCHEMBL6036900 0.84 PNMT (0.48) PNMTHTTNPC1RAB9ADRD2
SCHEMBL6030527 0.83 HTT (0.47) PNMTHTTNPC1RAB9AEPHX1
SCHEMBL29541016 0.83 HTT (0.47) PNMTHTTNPC1RAB9AEPHX1
SCHEMBL31192378 0.82 PNMT (0.48) PNMTHTTNPC1RAB9AEPHX1
SCHEMBL7801433 0.82 PNMT (0.47) PNMTHTTNPC1RAB9AEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1310510-B1 Topologically segregated, encoded solid phase libraries AVENTIS PHARMA INC (US) 2007-07-11 — — EP disclosed
EP-1310510-A2 Topologically segregated, encoded solid phase libraries SELECTIDE CORPORATION (US) 2003-05-14 — — EP disclosed
EP-0705279-B1 TOPOLOGICALLY SEGREGATED, ENCODED SOLID PHASE LIBRARIES SELECTIDE CORP (US) 2003-02-19 — — EP disclosed
US-6090912-A MULTIPLICITY OF SEPARATE SOLID SUPPORTS WITH SURFACE HAVING SUCEPTIBLE LINKER TO SINGLE SPECIES OF TEST COMPOUND AND WITH INTERIOR HAVING ATTACHED NON-CLEAVABLE CODING MOLECULE; FOR SCREENING LIGANDS OR ACCEPTORS SELECTIDE CORPORATION (US) 2000-07-18 — — US disclosed
EP-0705279-A4 TOPOLOGICALLY SEGREGATED, ENCODED SOLID PHASE LIBRARIES SELECTIDE CORP (US) 1999-03-24 — — EP disclosed
US-5840485-A SYNTHETIC TEST COMPOUNDS ATTACHED TO SEPARATE PHASE SYNTHESIS SUPPORTS THAT ALSO CONTAIN CODING MOLECULES THAT ENCODE THE STRUCTURE OF THE SYNTHETIC TEST COMPOUND SELECTIDE CORPORATION (US) 1998-11-24 — — US disclosed
EP-0705279-A1 TOPOLOGICALLY SEGREGATED, ENCODED SOLID PHASE LIBRARIES SELECTIDE CORPORATION (US) 1996-04-10 — — EP disclosed
WO-1994028028-A1 TOPOLOGICALLY SEGREGATED, ENCODED SOLID PHASE LIBRARIES SELECTIDE CORPORATION (US) 1994-12-08 — — WO disclosed
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