SCHEMBL197921

SCHEMBL197921

C=CCOOC(=O)C(=C)CC

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL468460 0.79 TSHR (0.44) TSHRALDH1A1KDM4E
SCHEMBL1243374 0.79 ALDH1A1 (0.41) TSHRALDH1A1
SCHEMBL999635 0.79 ALDH1A1 (0.34) TSHRALDH1A1
SCHEMBL8885527 0.78 ALDH1A1 (0.35) TSHRALDH1A1
Acrylic Acid SCHEMBL29080565 0.77 ALOX15 (0.38) TSHRALDH1A1
SCHEMBL30083352 0.77
Hydrochloric Acid SCHEMBL27667583 0.77 ALDH1A1 (0.33) TSHRALDH1A1
SCHEMBL28306229 0.76 TSHR (0.42) TSHRALDH1A1KDM4E
SCHEMBL17102967 0.76 ALDH1A1 (0.30) TSHRALDH1A1
Alcohol SCHEMBL8026692 0.75 TSHR (0.36) TSHRALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088331-B2 Acid liquid leakage sensor ORIGIN ELECTRIC COMPANY, LIMITED (JP) 2012-01-03 US disclosed
EP-1722217-B1 ACID LIQUID LEAK SENSOR ORIGIN ELECTRIC (JP) 2011-04-13 EP disclosed
US-20070275296-A1 Acid Liquid Leakage Sensor ORIGIN ELECTRIC COMPANY, LIMITED (JP) 2007-11-29 US disclosed
EP-1722217-A1 ACID LIQUID LEAK SENSOR Origin Electric Company Ltd (JP) 2006-11-15 EP disclosed
CN-1016498-B PRESSURE-SENSITIVE ADHESIVE SHEETS KANSAI PAINT CO LTD (JP) 1992-05-06 CN disclosed