1,3-Propanediol

1,3-Propanediol

SCHEMBL4331763

CCCCOCCC.OCCCO

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.71
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
HTT P42858 2/20 0.56
THRB P10828 1/20 0.56
MAPT P10636 1/20 0.56
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 2/20 0.46
HSD17B10 Q99714 1/20 0.46
USP2 O75604 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38

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 SCHEMBL4326606 0.95 TSHR (0.71) TSHRMEN1KMT2AHTTTHRB
1,3-Propanediol SCHEMBL4324367 0.95 TSHR (0.79) TSHRMEN1KMT2AHTTTHRB
Ethylene Glycol SCHEMBL1766252 0.92 TSHR (0.75) TSHRMEN1KMT2AHTTTHRB
1,3-Propanediol SCHEMBL4322713 0.92 TSHR (0.57) TSHRMEN1KMT2AHTTTHRB
Butoxyethanol SCHEMBL1818617 0.90 TSHR (0.90) TSHRMEN1KMT2AHTTTHRB
Di(Hydroxyethyl)Ether SCHEMBL273200 0.90 TSHR (0.90) TSHRMEN1KMT2AHTTTHRB
SCHEMBL223572 0.89
SCHEMBL39318 0.89
Butyl Alcohol SCHEMBL49202 0.89 TSHR (0.79) TSHRMEN1KMT2AHTTTHRB
SCHEMBL27974653 0.89 TSHR (0.79) TSHRMEN1KMT2AHTTTHRB

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-20090324831-A1 CURABLE RESIN COMPOSITION AND PROCESS FOR PRODUCING CURED COATING USING THE SAME DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2009-12-31 US disclosed
EP-2048196-A1 CURABLE RESIN COMPOSITION AND METHOD FOR FORMING CURED COATING FILM Daicel Chemical Industries, Ltd. (JP) 2009-04-15 EP disclosed