Allyl Alcohol

Allyl Alcohol

SCHEMBL9853356

C=CC(=O)OC(O)CCC.C=CCO

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.39
HPGD P15428 1/20 0.39
ALDH1A1 P00352 5/20 0.35
TP53 P04637 3/20 0.35
HIF1A Q16665 3/20 0.35
CYP3A4 P08684 2/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
THRB P10828 3/20 0.33
HSD17B10 Q99714 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30

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
SCHEMBL26503 0.93 TSHR (0.44) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL27143080 0.91 TSHR (0.42) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL9333707 0.87 TSHR (0.40) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL2283957 0.86 TSHR (0.40) TSHRHPGDALDH1A1TP53HIF1A
Phosphoric Acid SCHEMBL28457487 0.86 TSHR (0.39) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL3401710 0.84 TSHR (0.38) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL10409185 0.83 TSHR (0.39) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL1123116 0.81 TSHR (0.53) TSHRHPGDALDH1A1CYP3A4MAPK1
SCHEMBL9840052 0.81 TSHR (0.36) TSHRHPGDALDH1A1THRB
SCHEMBL9329300 0.80 TSHR (0.69) TSHRHPGDALDH1A1TP53HIF1A

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
EP-0408858-A1 Copolymers for use in high solids, low volatile organic content coatings BASF Corporation (US) 1991-01-23 EP disclosed
EP-0398387-A1 High solids low VOC paint compositions BASF Corporation (US) 1990-11-22 EP disclosed