SCHEMBL16666124

SCHEMBL16666124

C[Si](C)(O)CCC[N+](CCCS(=O)(=O)O)(CCCS(=O)(=O)O)CCCS(=O)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.35
EPHX2 P34913 1/20 0.32

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
SCHEMBL31181874 0.92 BBOX1 (0.43) APPEPHX2
SCHEMBL25250157 0.81 APP (0.33) APPEPHX2
SCHEMBL26421485 0.80 APP (0.32) APP
SCHEMBL9165713 0.75 SLC22A1 (0.46) APPEPHX2
SCHEMBL15965937 0.75 SLC22A1 (0.55) APPEPHX2
Tetrabuthylammonium SCHEMBL4608034 0.74 SLC22A1 (0.43) APPEPHX2
SCHEMBL12109955 0.74 SLC22A1 (0.56) EPHX2
SCHEMBL28558958 0.74 SLC22A1 (0.56) EPHX2
Tetrabuthylammonium SCHEMBL28206434 0.74 SLC22A1 (0.52) APPEPHX2
SCHEMBL30054204 0.73 BBOX1 (0.37) APP

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
WO-2015187677-A1 PHTHALOCYANINE PROBES AND USES THEREOF LI-COR, INC. (US) 2015-12-10 WO disclosed
WO-2015187651-A1 THERAPEUTIC AND DIAGNOSTIC PROBES LI-COR, INC. (US) 2015-12-10 WO disclosed
WO-2015057692-A1 PROSTATE-SPECIFIC MEMBRANE ANTIGEN-TARGETED PHOTOSENSITIZERS FOR PHOTODYNAMIC THERAPY THE JOHNS HOPKINS UNIVERSITY (US) 2015-04-23 WO disclosed