Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1457747

O=C(NCc1ccc(Cl)cc1)OC1=NOC2(CCNCC2)C1.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
TACR1 P25103 1/20 0.35
ALDH1A1 P00352 4/20 0.35
EPHX2 P34913 1/20 0.35
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
ATM Q13315 1/20 0.34
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 1/20 0.33
P2RX7 Q99572 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
SCHEMBL1457507 0.93 MEN1 (0.42) SMN1; SMN2KMT2AMEN1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL1457514 0.92 MEN1 (0.41) SMN1; SMN2KMT2AMEN1ALDH1A1LMNA
SCHEMBL1457414 0.86 TACR1 (0.41) TACR1MAPTP2RX7
SCHEMBL6410873 0.85 ATM (0.43) ALDH1A1ATM
Hydrochloric Acid SCHEMBL6419339 0.84 ATM (0.42) ALDH1A1ATM
Trifluoroacetic Acid SCHEMBL5120141 0.83 SMN1; SMN2 (0.40) SMN1; SMN2KMT2AMEN1TACR1ALDH1A1
SCHEMBL1457142 0.82 EPHX2 (0.40) KMT2AMEN1EPHX2
SCHEMBL1457277 0.77 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1EPHX2LMNA
SCHEMBL1457432 0.76 MEN1 (0.45) SMN1; SMN2KMT2AMEN1ALDH1A1LMNA
SCHEMBL1457735 0.76 ALDH1A1 (0.41) ALDH1A1HPGD

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-2292625-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2013-12-25 EP disclosed
EP-2292625-A1 Substituted spiro compounds and their use for producing pain-relief medicaments Grünenthal GmbH (DE) 2011-03-09 EP disclosed
EP-1893620-A2 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF DRUGS Grünenthal GmbH (DE) 2008-03-05 EP disclosed
WO-2006122769-A2 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF DRUGS Grünenthal GmbH (DE) 2006-11-23 WO disclosed