SCHEMBL8950932

SCHEMBL8950932

CC(C)C(C(=O)O)N(CC(O)CO)CC(O)CO.[LiH]

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.33
TP53 P04637 1/20 0.32
ADAMTS4 O75173 1/20 0.31

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
SCHEMBL6009521 0.98 OR51E2 (0.34) OR51E2TP53ADAMTS4
SCHEMBL6009538 0.98 OR51E2 (0.34) OR51E2TP53ADAMTS4
SCHEMBL8950938 0.96 OR51E2 (0.33) OR51E2TP53ADAMTS4
SCHEMBL8950933 0.96 OR51E2 (0.33) OR51E2TP53ADAMTS4
Tetramethylammonium Ion SCHEMBL8950925 0.93 OR51E2 (0.31) OR51E2TP53
Guanidine SCHEMBL8950957 0.90
Tetrylammonium SCHEMBL8950924 0.88
SCHEMBL6009525 0.86 OR51E2 (0.34) OR51E2TP53
SCHEMBL6009543 0.86 OR51E2 (0.34) OR51E2TP53
Tetrabuthylammonium SCHEMBL8950922 0.83 SLC22A1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5585391-A Hydroxyl ions as unique therapeutic agents and compounds that modulate these ions, compositions employing these agents, therapeutic methods for using such agents and processes for preparing them FHJ SCIENTIFIC, INC. (US) 1996-12-17 US disclosed
US-5574050-A Hydroxyl ions as unique therapeutic agents and processes for preparing them FHJ SCIENTIFIC, INC. (US) 1996-11-12 US disclosed
EP-0725636-A1 HYDROXYL IONS AS UNIQUE THERAPEUTIC AGENTS AND COMPOUNDS THAT MODULATE THESE IONS, COMPOSITIONS EMPLOYING THESE AGENTS, THERAPEUTIC METHODS FOR USING SUCH AGENTS AND PROCESSES FOR PREPARING THEM FHJ SCIENTIFIC, INC. (US) 1996-08-14 EP disclosed
WO-1995010272-A1 HYDROXYL IONS AS UNIQUE THERAPEUTIC AGENTS AND COMPOUNDS THAT MODULATE THESE IONS, COMPOSITIONS EMPLOYING THESE AGENTS, THERAPEUTIC METHODS FOR USING SUCH AGENTS AND PROCESSES FOR PREPARING THEM FHJ SCIENTIFIC, INC. (US) 1995-04-20 WO disclosed