SCHEMBL7599321

SCHEMBL7599321

OCC(CO)(CO)CCCC(CO)(CO)CO

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41

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
SCHEMBL31182045 0.92 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL1226248 0.88 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL9816748 0.88 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL3871791 0.85 ALDH1A1 (0.37) ALDH1A1TSHR
SCHEMBL4318074 0.82 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL20437596 0.79 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL165249 0.79 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL3855707 0.79 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL2418354 0.79 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL14655732 0.79 FDPS (0.39) ALDH1A1TSHR

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
CN-114591187-B Preparation method of 1,3-bis (tris (hydroxymethyl) methylamino) propane 苏州亚科科技股份有限公司 2023-08-22 CN disclosed
EP-1027303-B1 SHRINKAGE-REDUCING AGENT FOR CEMENT COMPOSITIONS PERSTORP AB (SE) 2002-11-27 EP disclosed
US-5510428-A Compositions, epoxized compositions, a heat curable resin composition, an epoxy resin composition, radically polymerized compositions, a curable resin composition and a polymer having epoxy groups DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1996-04-23 US disclosed
US-5091214-A Trimerization, then polymerization SAINT-GOBAIN VITRAGE INTERNATIONAL (FR) 1992-02-25 US disclosed