SCHEMBL28894331

SCHEMBL28894331

O=CC(CCCCO)CCCCO

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 1/20 0.42
AKR1B1 P15121 1/20 0.33
GPR84 Q9NQS5 1/20 0.31
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31

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
SCHEMBL28667395 0.97 TSHR (0.41) SMN1; SMN2TSHRAKR1B1
SCHEMBL28555126 0.87 LMNA (0.54) SMN1; SMN2TSHRGPR84FFAR1
SCHEMBL17705170 0.84 SMN1; SMN2 (0.61) SMN1; SMN2TSHRGPR84FFAR1FFAR4
SCHEMBL229944 0.81
SCHEMBL3110695 0.80 SMN1; SMN2 (0.64) SMN1; SMN2TSHR
SCHEMBL336796 0.79
SCHEMBL3104189 0.77
SCHEMBL12841660 0.77 TSHR (0.54) SMN1; SMN2TSHRGPR84FFAR1
SCHEMBL5174808 0.76
SCHEMBL18090969 0.74 GABRR1 (0.42) SMN1; SMN2TSHR

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-111285760-B Synthesis method and intermediate of pipadiric acid 南京佰麦生物技术有限公司 2020-08-25 CN claimed
CN-111285760-A Synthesis method and intermediate of pipadiric acid 南京佰麦生物技术有限公司 2020-06-16 CN claimed
CN-111285760-B Synthesis method and intermediate of pipadiric acid 南京佰麦生物技术有限公司 2020-08-25 CN disclosed
CN-111285760-A Synthesis method and intermediate of pipadiric acid 南京佰麦生物技术有限公司 2020-06-16 CN disclosed