Trifluoroacetic Acid

SCHEMBL30309113

NCC1CCC(C(=O)N[C@H](Cc2c[nH]c3ccc(I)cc23)C(=O)NCCCC[C@H](NC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	FOLH1	Q04609	12/20	0.49

▸	PLG	P00747	4/20	0.42

▸	PRSS1	P07477	4/20	0.42

▸	PRSS2	P07478	4/20	0.42

▸	PRSS3	P35030	4/20	0.42

▸	KISS1R	Q969F8	1/20	0.42

▸	PLAU	P00749	1/20	0.42

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.

Compound	similarity	top predicted	shared targets
SCHEMBL25963782	0.96	FOLH1 (0.52)	FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL25963639	0.89	FOLH1 (0.46)	FOLH1PLGPRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL30309092	0.88	FOLH1 (0.67)	FOLH1
Trifluoroacetic Acid SCHEMBL30309112	0.86	FOLH1 (0.57)	FOLH1PLGPRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL30309123	0.85	FOLH1 (0.56)	FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL25963815	0.84	FOLH1 (0.71)	FOLH1
SCHEMBL25963776	0.83	FOLH1 (0.60)	FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL25963777	0.81	FOLH1 (0.60)	FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL29679138	0.78	FOLH1 (0.60)	FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL29679197	0.78	PLG (0.68)	FOLH1PLGPRSS1PRSS2PRSS3

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-4161585-A1	PSMA TARGETING UREA-BASED LIGANDS FOR PROSTATE CANCER RADIOTHERAPY AND IMAGING	University of Copenhagen (DK)	2023-04-12	—	—	EP	disclosed