SCHEMBL9809378

SCHEMBL9809378

O=C(S)CC(O)C(=O)OCCCCCCO

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.38
NAAA Q02083 1/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
APP P05067 2/20 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
SCHEMBL9809385 0.98 ACHE (0.35) ACHENAAAGAA
SCHEMBL9809395 0.92
Ethylene Glycol SCHEMBL10895382 0.84
SCHEMBL10404343 0.84 TSHR (0.35) TSHR
SCHEMBL9809339 0.84 NAAA (0.53) ACHENAAAALDH1A1TSHR
SCHEMBL4373077 0.84 NAAA (0.53) ACHENAAAALDH1A1TSHR
SCHEMBL11024258 0.83 NAAA (0.42) ACHENAAAGAA
SCHEMBL11669561 0.83 SMN1; SMN2 (0.41) ACHENAAA
SCHEMBL28985417 0.83 NAAA (0.42) ACHENAAAGAA
Ethylene Glycol SCHEMBL11779935 0.82 ALDH1A1 (0.42) ACHENAAAALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4985485-A HYDROTALCITE RHONE-POULENC CHIMIE (FR) 1991-01-15 US disclosed
US-4963594-A STABILIZERS OF THIOMALIC ACID DIESTERS, ZINC AND GROUP IIA CARBOXYLIC ACID SALTS AND PHENOLATES; MOLDING MATERIALS, COLORFAST RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1990-10-16 US disclosed
US-4921896-A RED PHOSPHORUS, LANTHANIDE, TALC, ZINC SULFIDE OR ZINC OXIDE RHONE-POULENC CHIMIE (FR) 1990-05-01 US disclosed
US-4612339-A YTTRIUM OR LANTHANDIDE COMPOUND; AMMONIUM, ALKALI OR ALKALINE EARTH METAL HALIDE RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1986-09-16 US disclosed
US-4559372-A ADDITIVES OF RED PHOSPHORUS AND A LANTHANIDE AND/OR YTTRIUM COMPOUND; NONTOXIC;ARC TRACKING RESISTANCE RHONE-POULENC SPECIALITIES CHIMIQUES (FR) 1985-12-17 US disclosed