1,3-Propanediol

1,3-Propanediol

SCHEMBL4394586

C=COC(=O)OC(=O)OC=C.OCCCO

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33

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
1,4-Butanediol SCHEMBL14816086 0.85 TSHR (0.36) TSHR
SCHEMBL1022671 0.84 ALDH1A1 (0.37) TSHR
1,6-Hexanediol SCHEMBL5867191 0.83 GPR84 (0.39) TSHR
Ethylene Glycol SCHEMBL6115701 0.79 TSHR (0.39) TSHR
SCHEMBL28838462 0.77 MAPT (0.39) TSHR
SCHEMBL4113049 0.77 TSHR (0.40) TSHR
Cyclopropane SCHEMBL1799907 0.77 ALDH1A1 (0.32) TSHR
Cyclohexane SCHEMBL1801941 0.77 ALDH1A1 (0.32) TSHR
SCHEMBL1802495 0.77 ALDH1A1 (0.32) TSHR
SCHEMBL5792196 0.74 TSHR (0.47) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298139-A1 Method for Polymer Synthesis Using Microfluidic Enzymatic Cascade AIR FORCE, UNITED STATES 2009-12-03 US disclosed
WO-2007100831-A2 METHOD FOR POLYMER SYNTHESIS USING MICROFLUIDIC ENZYMATIC CASCADE TUFTS UNIVERSITY (US) 2007-09-07 WO disclosed