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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL28378335

CCC(C)C(NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(N)CC(C)C)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(C(=O)NC(C(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)NC(C(=O)NC(CCCCN)C(=O)NC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(N)=O)C(=O)NC(CC(C)C)C(=O)NC(C(=O)N1CCCC1C(=O)NC(CCCNC(=N)N)C(=O)NC(C(=O)NC(CCC(=O)O)C(=O)NC(CO)C(N)=O)C(C)O)C(C)C)C(C)CC)C(C)C)C(C)CC.O=C(O)C(F)(F)F

nearest known ligand 0.76

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 4/20 0.63
▸ NPY2R P49146 8/20 0.61
▸ NPY4R P50391 8/20 0.61
▸ NPY5R Q15761 8/20 0.61
▸ NPY1R P25929 6/20 0.61
▸ EP300 Q09472 1/20 0.61
▸ HIF1A Q16665 1/20 0.61
▸ KEAP1 Q14145 3/20 0.61
▸ CALCR P30988 2/20 0.58

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
SCHEMBL31336977 0.98 TFPI (0.64) TFPINPY2RNPY4RNPY5RNPY1R
Cathelicidin SCHEMBL29350781 0.95 NPY2R (0.65) TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL30658227 0.90 CALCR (0.67) TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL29588486 0.90 NPY2R (0.65) TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL30887977 0.90 CALCR (0.64) TFPIKEAP1CALCR
SCHEMBL30495583 0.90 NPY2R (0.65) TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL31183026 0.90 NPY2R (0.64) TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL30338084 0.89 NPY2R (0.62) TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL30495778 0.89 NPY2R (0.69) TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL29827447 0.89 KEAP1 (0.62) TFPINPY2RNPY4RNPY5RNPY1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111714475-A Application of honokiol in preparation of medicine for treating and/or preventing rosacea 四川大学华西医院 2020-09-29 — — CN disclosed
CN-110812345-A Application of honokiol in preparation of medicine for treating and/or preventing rosacea 四川大学华西医院 2020-02-21 — — CN disclosed
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