SCHEMBL9017197

SCHEMBL9017197

NCCC(=O)OS(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
SLC6A6 P31641 1/20 0.36
CYP2C19 P33261 1/20 0.36
BLM P54132 1/20 0.36
APP P05067 1/20 0.33
CYP1A2 P05177 1/20 0.32
CA2 P00918 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
SCHEMBL362989 0.84 TSHR (0.38) CA2
SCHEMBL28365491 0.81 TSHR (0.36) CA2
SCHEMBL27449069 0.81 TSHR (0.36) CA2
SCHEMBL1952006 0.81 TSHR (0.36) CA2
Ammonia Solution, Strong SCHEMBL11776045 0.81 TSHR (0.36) CA2
SCHEMBL2521502 0.81 TSHR (0.36) CA2
SCHEMBL28485977 0.81 TSHR (0.36) CA2
Ammonia Solution, Strong SCHEMBL27570613 0.81 TSHR (0.36) CA2
SCHEMBL11763685 0.81 TSHR (0.36) CA2
Tetrabuthylammonium SCHEMBL9017232 0.80 SLC22A1 (0.39) CYP1A2CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0537905-B1 Water soluble derivatives of taxol with anti-neoplastic activity VIRGINIA TECH INTELL PROP (US) 1996-03-06 EP disclosed
US-5352805-A Reaction with a glycol; storage stability; antitumor, anticarcinogenic agents VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 1994-10-04 US disclosed
US-5278324-A Sulfonates VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 1994-01-11 US disclosed
EP-0537905-A1 Water soluble derivatives of taxol with anti-neoplastic activity VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 1993-04-21 EP disclosed
EP-0473326-A1 Water soluble derivatives of taxol VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 1992-03-04 EP disclosed
US-5059699-A Antitumor agents; stability VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 1991-10-22 US disclosed