1,3-Propanediol

1,3-Propanediol

SCHEMBL27804317

CCCCOC.OCCCO

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
TSHR P16473 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HSD17B10 Q99714 1/20 0.48
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.41
CYP3A4 P08684 1/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
ATM Q13315 1/20 0.36
ACHE P22303 4/20 0.35

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
Butyl Alcohol SCHEMBL21274221 0.94 ALDH1A1 (0.61) ALDH1A1TSHRSMN1; SMN2LMNAMEN1
Ethylene Glycol SCHEMBL531048 0.92 TSHR (0.55) ALDH1A1TSHRSMN1; SMN2LMNAMEN1
2-Methoxyethanol SCHEMBL10532183 0.89 TSHR (0.59) ALDH1A1TSHRSMN1; SMN2LMNAMEN1
Butyl Alcohol SCHEMBL5051719 0.89 ALDH1A1 (0.61) ALDH1A1TSHRSMN1; SMN2LMNAMEN1
Alcohol SCHEMBL16584691 0.88
Ethylene Glycol SCHEMBL23356975 0.86 TSHR (0.50) ALDH1A1TSHRSMN1; SMN2LMNAMEN1
Ethylene Glycol SCHEMBL11566426 0.86 TSHR (0.50) ALDH1A1TSHRSMN1; SMN2LMNAMEN1
Ethylene Glycol SCHEMBL23356763 0.86 TSHR (0.50) ALDH1A1TSHRSMN1; SMN2LMNAMEN1
Ethylene Glycol SCHEMBL18548409 0.86 TSHR (0.50) ALDH1A1TSHRSMN1; SMN2LMNAMEN1
Butyl Alcohol SCHEMBL6438034 0.86 ALDH1A1 (0.65) ALDH1A1TSHRSMN1; SMN2LMNAMEN1

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
CN-101730734-B Lubricating oil composition for refrigerator and compressor using the same IDEMITSU KOSAN CO 2013-07-17 CN disclosed
CN-101730734-A Lubricating oil composition for refrigerator and compressor using the same IDEMITSU KOSAN CO 2010-06-09 CN disclosed