Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8550592

O=C(O)C(F)(F)F.c1ccc2c(CCN3CCC(c4cc(-c5ccc6c(c5)OCCO6)on4)CC3)cccc2c1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 16/20 0.43
TP53 P04637 2/20 0.41
MAPT P10636 2/20 0.41
SCD O00767 4/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL8552681 0.92 DRD2 (0.42) SCD5SCDLMNANPC1RAB9A
SCHEMBL8547387 0.79 HTR1A (0.42) LMNA
Hydrochloric Acid SCHEMBL8551657 0.79 HTR1A (0.41) MAPTLMNA
SCHEMBL8545434 0.76 DRD2 (0.40) TP53MAPTLMNANPC1RAB9A
SCHEMBL7815594 0.75 SLC6A4 (0.46) MAPTLMNAHTT
SCHEMBL8546423 0.72 SNCA (0.42) LMNA
SCHEMBL8551917 0.68 SCD5 (0.62) SCD5TP53MAPTLMNANPC1
SCHEMBL7814691 0.66 SIGMAR1 (0.43) MAPTHTT
SCHEMBL7817070 0.66 HTR1A (0.59)
SCHEMBL1388436 0.65 DRD4 (0.71)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0822814-A4 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1998-12-09 EP disclosed
EP-0822814-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-02-11 EP disclosed
US-5668148-A BENIGN PROSTATIC HYPERTROPHY MERCK & CO., INC. (US) 1997-09-16 US disclosed
WO-1996032938-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1996-10-24 WO disclosed