SCHEMBL27998917

SCHEMBL27998917

C=CC(=O)OCC(O)CO.[NaH]

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.55
ALDH1A1 P00352 5/20 0.44
TP53 P04637 3/20 0.44
HIF1A Q16665 3/20 0.44
CYP3A4 P08684 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 1/20 0.41
DUSP3 P51452 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 2/20 0.39
DGKA P23743 1/20 0.38
FAAH O00519 2/20 0.36
THRB P10828 2/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 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
SCHEMBL31040499 0.98 TSHR (0.57) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL16002532 0.98 TSHR (0.57) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL115220 0.98 TSHR (0.57) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL16666220 0.98 TSHR (0.57) TSHRALDH1A1TP53HIF1ACYP3A4
Glycerin SCHEMBL8528579 0.96 TSHR (0.55) TSHRALDH1A1TP53HIF1ACYP3A4
Glycerin SCHEMBL27591671 0.96 TSHR (0.55) TSHRALDH1A1TP53HIF1ACYP3A4
Bicarbonate SCHEMBL28658181 0.94 TSHR (0.53) TSHRALDH1A1TP53HIF1ACYP3A4
Acrylic Acid SCHEMBL9637903 0.92 TSHR (0.52) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL30106394 0.92 TSHR (0.55) TSHRALDH1A1TP53HIF1ACYP3A4
Propene SCHEMBL28865860 0.92 TSHR (0.57) TSHRALDH1A1TP53HIF1ACYP3A4

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-104491902-A Air freshener and preparation method thereof CHENGDU SHUNFA DISINFECTANT & WASHING TECH CO LTD 2015-04-08 CN claimed
CN-104474567-A Air freshener and preparation method thereof CHENGDU SHUNFA DISINFECTANT & WASHING TECH CO LTD 2015-04-01 CN claimed
CN-104491902-A Air freshener and preparation method thereof CHENGDU SHUNFA DISINFECTANT & WASHING TECH CO LTD 2015-04-08 CN disclosed
CN-104474567-A Air freshener and preparation method thereof CHENGDU SHUNFA DISINFECTANT & WASHING TECH CO LTD 2015-04-01 CN disclosed