SCHEMBL6117441

SCHEMBL6117441

C=C(C)C(=O)NCCC[N+](CC)(CC)CC.COS(=O)(=O)[O-]

nearest known ligand 0.32

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.30

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
SCHEMBL9820844 0.90 TGFBR1 (0.33) TGFBR1
SCHEMBL16343142 0.88 BBOX1 (0.41)
SCHEMBL969702 0.88 BBOX1 (0.37)
SCHEMBL1563365 0.87 CHRM2 (0.36) TGFBR1
SCHEMBL153023 0.86 POLB (0.37)
Hydrochloric Acid SCHEMBL475592 0.85 CHRM2 (0.35) TGFBR1
SCHEMBL19971333 0.83 BBOX1 (0.41) TGFBR1
SCHEMBL6117144 0.82 BBOX1 (0.36)
SCHEMBL6118217 0.82 POLB (0.36)
Hydrochloric Acid SCHEMBL6117337 0.81 DNM1 (0.36) TGFBR1

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
US-8722824-B2 Relative permeability modifiers based on hydrophobically modified cationic copolymers ENI S.P.A. (IT) 2014-05-13 US disclosed
US-20120130037-A1 RELATIVE PERMEABILITY MODIFIERS BASED ON HYDROPHOBICALLY MODIFIED CATIONIC COPOLYMERS ENI S.P.A. (IT) 2012-05-24 US disclosed