SCHEMBL8940138

SCHEMBL8940138

NC(CC(=O)O)C(CC(=O)O)(OCC(=O)O)C(N)(CC(=O)O)CC(=O)O

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.30
CTH P32929 1/20 0.30
CBS P35520 1/20 0.30
THPO P40225 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL8976857 0.72 TDP1 (0.36) TDP1
SCHEMBL5690770 0.71 HMGCR (0.38) TDP1
SCHEMBL5692405 0.69 HMGCR (0.37) TSHRTDP1
Ammonia Solution, Strong SCHEMBL10590157 0.69 TDP1 (0.38) TDP1
SCHEMBL465794 0.69 TDP1 (0.40) TSHRTDP1
SCHEMBL750130 0.66 TDP1 (0.42) TSHRTDP1
SCHEMBL8940071 0.66 TDP1 (0.30) TDP1
SCHEMBL396503 0.65 TDP1 (0.40) TSHRTDP1
SCHEMBL7999396 0.65 TDP1 (0.40) TSHRTDP1
SCHEMBL26361 0.65 ALDH1A1 (0.45) TSHRCTHCBSTHPOTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711180-A4 FUNCTIONALIZED TRIPODAL LIGANDS FOR IMAGING APPLICATIONS MALLINCKRODT MEDICAL INC (US) 1996-11-27 EP disclosed
EP-0711180-A1 FUNCTIONALIZED TRIPODAL LIGANDS FOR IMAGING APPLICATIONS MALLINCKRODT MEDICAL, INC. (US) 1996-05-15 EP disclosed
WO-1995001124-A1 FUNCTIONALIZED TRIPODAL LIGANDS FOR IMAGING APPLICATIONS MALLINCKRODT MEDICAL, INC. (US) 1995-01-12 WO disclosed